(2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid

C25H28N2O5 — CID 165495782

IUPAC(2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)CC1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1)C(=O)O
InChIInChI=1S/C25H28N2O5/c1-2-22(24(29)30)27-23(28)13-15-11-16(12-15)26-25(31)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21-22H,2,11-14H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t15?,16?,22-/m1/s1
InChIKeyQRXNKZDWORARLA-WTOQYCPUSA-N
MW436.51 g/mol
LogP3.67
Rot. Bonds8

About (2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid

(2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid (PubChem CID 165495782) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is (2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid
PubChem CID165495782
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name(2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)CC1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1)C(=O)O
InChIInChI=1S/C25H28N2O5/c1-2-22(24(29)30)27-23(28)13-15-11-16(12-15)26-25(31)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21-22H,2,11-14H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t15?,16?,22-/m1/s1
InChIKeyQRXNKZDWORARLA-WTOQYCPUSA-N
XLogP3.67
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-4-methylpentanoic acid
CID 178192394
(2S)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3-methoxypropanoic acid
CID 165460540
(2R)-2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3,3-dimethylbutanoic acid
CID 178202412
2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;N-methoxymethanamine
CID 91143180
2-[ethyl-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]acetic acid
CID 165494795
(2S)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-2-hydroxypropanoic acid
CID 178193478
2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-4-methoxy-4-methylpentanoic acid
CID 165461257
2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]-4-methylhexanoic acid
CID 178192100
2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;9H-fluoren-9-ylmethyl N-(4-oxohexan-3-yl)carbamate;methanamine
CID 160943823
(2R)-2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]amino]butanoic acid
CID 178195867
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid
CID 165479235
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid?
The IUPAC name of (2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid (CID 165495782) is (2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid is CC[C@@H](NC(=O)CC1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid?
The InChIKey is QRXNKZDWORARLA-WTOQYCPUSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-2-22(24(29)30)27-23(28)13-15-11-16(12-15)26-25(31)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21-22H,2,11-14H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t15?,16?,22-/m1/s1.
What are the key properties of (2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid?
(2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid has a molecular weight of 436.51 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]butanoic acid is sourced from PubChem (CID 165495782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).