(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid

C12H22N2O3 — CID 61174176

IUPAC(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)C1(N)CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-8(2)9(10(15)16)14-11(17)12(13)6-4-5-7-12/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyCBTNIHPNDAVQME-GKAPJAKFSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds5

About (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid

(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid (PubChem CID 61174176) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
PubChem CID61174176
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)[C@H](NC(=O)C1(N)CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-8(2)9(10(15)16)14-11(17)12(13)6-4-5-7-12/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyCBTNIHPNDAVQME-GKAPJAKFSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3-methylpentan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119300951
(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid
CID 64678791
1-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106344921
3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980275
(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980329
(2S)-3-methyl-2-[(2-methylthiolane-2-carbonyl)amino]pentanoic acid
CID 81450228
1-amino-N-pentan-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119263350
2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 61157147
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
CID 104677924
1-amino-N-[(2R)-1-hydroxybutan-2-yl]cyclopentane-1-carboxamide
CID 93315413
3-methyl-2-(spiro[2.4]heptane-2-carbonylamino)pentanoic acid
CID 119211845
(2S)-3-methyl-2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 61173965

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid (CID 61174176) is (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid is CCC(C)[C@H](NC(=O)C1(N)CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid?
The InChIKey is CBTNIHPNDAVQME-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-8(2)9(10(15)16)14-11(17)12(13)6-4-5-7-12/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid?
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 61174176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).