(2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid

C14H24N2O4 — CID 54371595

IUPAC(2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid
SMILESCC(C)[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-8(2)11(13(18)15-9(3)14(19)20)16-12(17)10-6-4-5-7-10/h8-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1
InChIKeyUTOUNFZSNLYHMO-ONGXEEELSA-N
MW284.36 g/mol
LogP0.91
Rot. Bonds6

About (2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid

(2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid (PubChem CID 54371595) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid
PubChem CID54371595
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid
SMILESCC(C)[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-8(2)11(13(18)15-9(3)14(19)20)16-12(17)10-6-4-5-7-10/h8-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1
InChIKeyUTOUNFZSNLYHMO-ONGXEEELSA-N
XLogP0.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid with MolForge

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Related Compounds

2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 4191585
2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 119225718
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
3-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119136333
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 3501377
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 43354069
2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid
CID 119212075
2-[[2-[(2-iodoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 87405364

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid (CID 54371595) is (2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid is CC(C)[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid?
The InChIKey is UTOUNFZSNLYHMO-ONGXEEELSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-8(2)11(13(18)15-9(3)14(19)20)16-12(17)10-6-4-5-7-10/h8-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid?
(2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid is sourced from PubChem (CID 54371595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).