(2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid

C13H24N2O3 — CID 113309472

IUPAC(2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)C1(CN)CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-12(2,3)9(10(16)17)15-11(18)13(8-14)6-4-5-7-13/h9H,4-8,14H2,1-3H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyVRXSNGUFFNPZDK-SECBINFHSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds4

About (2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid

(2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 113309472) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid
PubChem CID113309472
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)C1(CN)CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-12(2,3)9(10(16)17)15-11(18)13(8-14)6-4-5-7-13/h9H,4-8,14H2,1-3H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyVRXSNGUFFNPZDK-SECBINFHSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927172
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanoic acid
CID 115443955
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]butanedioic acid
CID 115444316
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
CID 113309539
1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide
CID 115438007
(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 106974844
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 64679805
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid
CID 115443988
1-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)cyclopentane-1-carboxamide
CID 115434759
1-(aminomethyl)-N-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxamide
CID 82724462

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid (CID 113309472) is (2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@H](NC(=O)C1(CN)CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is VRXSNGUFFNPZDK-SECBINFHSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)9(10(16)17)15-11(18)13(8-14)6-4-5-7-13/h9H,4-8,14H2,1-3H3,(H,15,18)(H,16,17)/t9-/m1/s1.
What are the key properties of (2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid?
(2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 113309472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).