(2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid

C27H34N2O5 — CID 165461568

IUPAC(2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid
SMILESCCCCC(CC(=O)N[C@@H](C(=O)O)C(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H34N2O5/c1-4-5-10-18(15-24(30)29-25(17(2)3)26(31)32)28-27(33)34-16-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23/h6-9,11-14,17-18,23,25H,4-5,10,15-16H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)/t18?,25-/m1/s1
InChIKeyMYYQXDGAGBUADV-IXXGTQFESA-N
MW466.58 g/mol
LogP4.70
Rot. Bonds11

About (2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid

(2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid (PubChem CID 165461568) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is (2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid
PubChem CID165461568
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Name(2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid
SMILESCCCCC(CC(=O)N[C@@H](C(=O)O)C(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H34N2O5/c1-4-5-10-18(15-24(30)29-25(17(2)3)26(31)32)28-27(33)34-16-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23/h6-9,11-14,17-18,23,25H,4-5,10,15-16H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)/t18?,25-/m1/s1
InChIKeyMYYQXDGAGBUADV-IXXGTQFESA-N
XLogP4.70
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid with MolForge

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
2-[1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoyl]azetidin-3-yl]propanoic acid
CID 165461626
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 165456115
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 71343106
(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid
CID 165466286
(2R)-2-[[3-ethoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropanoyl]amino]-3-methylbutanoic acid
CID 165494965
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-4-methylsulfanylbutanoic acid
CID 165494687
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]-4-methylpentanoic acid
CID 165456603

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid (CID 165461568) is (2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid is CCCCC(CC(=O)N[C@@H](C(=O)O)C(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid?
The InChIKey is MYYQXDGAGBUADV-IXXGTQFESA-N. The full InChI is InChI=1S/C27H34N2O5/c1-4-5-10-18(15-24(30)29-25(17(2)3)26(31)32)28-27(33)34-16-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23/h6-9,11-14,17-18,23,25H,4-5,10,15-16H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)/t18?,25-/m1/s1.
What are the key properties of (2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid?
(2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid has a molecular weight of 466.58 g/mol, XLogP of 4.70, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 165461568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).