4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid

C10H18N2O3 — CID 54272871

IUPAC4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@H](N)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-6(11)9(13)12-8-4-2-7(3-5-8)10(14)15/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7?,8?/m0/s1
InChIKeyRLJOHFIOCYCAMW-KKMMWDRVSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds3

About 4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid

4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 54272871) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID54272871
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@H](N)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-6(11)9(13)12-8-4-2-7(3-5-8)10(14)15/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7?,8?/m0/s1
InChIKeyRLJOHFIOCYCAMW-KKMMWDRVSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Cyclohexylamino)-5-oxo-2-propylpentanoic acid
CID 2938780
4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
2-[1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexyl]acetic acid
CID 61660424
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
CID 10635767
4-(((Tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid
CID 2755996
4-(Carbamoylamino)cyclohexane-1-carboxylic acid
CID 45792187
4-(Hexadecylamino)cyclohexane-1-carboxylic acid
CID 44279625
4-Cyclopentaneamidocyclohexane-1-carboxylic acid
CID 21572331
4-(2-Cyclopentylacetamido)cyclohexane-1-carboxylic acid
CID 47003024
4-(2-Cyclohexylacetamido)cyclohexane-1-carboxylic acid
CID 47003034
Cis-4-(methylamino)cyclohexanecarboxylic acid
CID 429561
4-(2-Fluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 312741

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid (CID 54272871) is 4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid is C[C@H](N)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is RLJOHFIOCYCAMW-KKMMWDRVSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(11)9(13)12-8-4-2-7(3-5-8)10(14)15/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7?,8?/m0/s1.
What are the key properties of 4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid?
4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 54272871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).