(4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

C28H34N2O6 — CID 133268509

IUPAC(4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)O)[C@H](C)OC1(C)C
InChIInChI=1S/C28H34N2O6/c1-6-16(2)23(25(31)30-24(26(32)33)17(3)36-28(30,4)5)29-27(34)35-15-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,16-17,22-24H,6,15H2,1-5H3,(H,29,34)(H,32,33)/t16-,17+,23-,24-/m1/s1
InChIKeyVZNSFSVZJYPRMN-UOIPHLHCSA-N
MW494.59 g/mol
LogP4.38
Rot. Bonds7

About (4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

(4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 133268509) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is (4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID133268509
Molecular FormulaC28H34N2O6
Molecular Weight494.59 g/mol
Exact Mass494.24
IUPAC Name(4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)O)[C@H](C)OC1(C)C
InChIInChI=1S/C28H34N2O6/c1-6-16(2)23(25(31)30-24(26(32)33)17(3)36-28(30,4)5)29-27(34)35-15-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,16-17,22-24H,6,15H2,1-5H3,(H,29,34)(H,32,33)/t16-,17+,23-,24-/m1/s1
InChIKeyVZNSFSVZJYPRMN-UOIPHLHCSA-N
XLogP4.38
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(5R)-3-[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 154573826
(4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 70658987
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992514
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992511
2-[[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]acetic acid
CID 129412621
2-[[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]acetic acid
CID 129412620
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 129011256
(5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 155906597
[(2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 171600883
3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75110601
(1R,6S)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 178193538
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid;1H-pyridin-2-one
CID 70089356

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid (CID 133268509) is (4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid is CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)O)[C@H](C)OC1(C)C.
What is the InChIKey of (4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is VZNSFSVZJYPRMN-UOIPHLHCSA-N. The full InChI is InChI=1S/C28H34N2O6/c1-6-16(2)23(25(31)30-24(26(32)33)17(3)36-28(30,4)5)29-27(34)35-15-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,16-17,22-24H,6,15H2,1-5H3,(H,29,34)(H,32,33)/t16-,17+,23-,24-/m1/s1.
What are the key properties of (4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid?
(4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 494.59 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 133268509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).