(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid

C12H22N2O3 — CID 66010236

IUPAC(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C1CCC(N)C1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-7(2)10(12(16)17)14-11(15)8-4-5-9(13)6-8/h7-10H,3-6,13H2,1-2H3,(H,14,15)(H,16,17)/t7-,8?,9?,10-/m0/s1
InChIKeyQMGLBDXJUWDMDB-NFTFJBJSSA-N
MW242.32 g/mol
LogP0.73
Rot. Bonds5

About (2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid

(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid (PubChem CID 66010236) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
PubChem CID66010236
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C1CCC(N)C1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-7(2)10(12(16)17)14-11(15)8-4-5-9(13)6-8/h7-10H,3-6,13H2,1-2H3,(H,14,15)(H,16,17)/t7-,8?,9?,10-/m0/s1
InChIKeyQMGLBDXJUWDMDB-NFTFJBJSSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylbutanoic acid
CID 66009453
(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid
CID 104965247
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 79526745
ethyl 2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
CID 119808262
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclopentane-1-carboxamide
CID 103810507
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115909831
(2S,3S)-2-[[4-[[[(2S,3R)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 40742726
(2S,3S)-3-methyl-2-(thiane-4-carbonylamino)pentanoic acid
CID 110837216
(2S,3S)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 119194354
(2S,3S)-2-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 114226158

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid (CID 66010236) is (2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)C1CCC(N)C1)C(=O)O.
What is the InChIKey of (2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid?
The InChIKey is QMGLBDXJUWDMDB-NFTFJBJSSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-7(2)10(12(16)17)14-11(15)8-4-5-9(13)6-8/h7-10H,3-6,13H2,1-2H3,(H,14,15)(H,16,17)/t7-,8?,9?,10-/m0/s1.
What are the key properties of (2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid?
(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 66010236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).