(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid

C14H26N2O3 — CID 64678791

IUPAC(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-10(2)12(13(18)19)16-11(17)9-14(15)7-5-4-6-8-14/h10,12H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)/t10-,12-/m0/s1
InChIKeyNUIUUIVZTWLZCY-JQWIXIFHSA-N
MW270.37 g/mol
LogP1.65
Rot. Bonds6

About (2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid

(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid (PubChem CID 64678791) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid
PubChem CID64678791
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)CC1(N)CCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-10(2)12(13(18)19)16-11(17)9-14(15)7-5-4-6-8-14/h10,12H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)/t10-,12-/m0/s1
InChIKeyNUIUUIVZTWLZCY-JQWIXIFHSA-N
XLogP1.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
CID 104677924
(2S)-2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3-methylpentanoic acid
CID 81172961
2-(1-aminocyclohexyl)-N-(2-methylpentan-3-yl)acetamide
CID 64678828
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 61174176
2-(1-aminocyclopentyl)-N-(3-ethylpentan-2-yl)acetamide
CID 64676880
(2S)-2-[[2-(1-aminocyclopentyl)acetyl]amino]pentanoic acid
CID 107565076
2-[[2-(1-aminocyclohexyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 64679805
2-(1-aminocyclohexyl)-N-hexan-3-ylacetamide
CID 64679470
2-(1-aminocyclopentyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 64685767
2-(1-aminocyclopentyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 107222528
2-(1-aminocyclopentyl)-N-(1-methoxybutan-2-yl)acetamide
CID 64677485
2-(1-aminocyclohexyl)-N-(1-cyclopentylethyl)acetamide
CID 64679071

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid (CID 64678791) is (2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)CC1(N)CCCCC1)C(=O)O.
What is the InChIKey of (2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid?
The InChIKey is NUIUUIVZTWLZCY-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-10(2)12(13(18)19)16-11(17)9-14(15)7-5-4-6-8-14/h10,12H,3-9,15H2,1-2H3,(H,16,17)(H,18,19)/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid?
(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 64678791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).