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

C10H18N2O3 — CID 10632420

IUPAC1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@@H](N)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O3/c1-7(11)8(13)12-10(9(14)15)5-3-2-4-6-10/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyYEOHVAOEGCAXLN-SSDOTTSWSA-N
MW214.26 g/mol
LogP0.24
Rot. Bonds3

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

1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 10632420) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID10632420
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@@H](N)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O3/c1-7(11)8(13)12-10(9(14)15)5-3-2-4-6-10/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15)/t7-/m1/s1
InChIKeyYEOHVAOEGCAXLN-SSDOTTSWSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 76894061
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657
1-[(2-amino-4-carboxybutanoyl)amino]cycloheptane-1-carboxylic acid
CID 64890106
1-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]cycloheptane-1-carboxylic acid
CID 104908015
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 43358914
1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 43358918
1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid
CID 81089146
1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 119132497
1-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202704

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid (CID 10632420) is 1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid is C[C@@H](N)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YEOHVAOEGCAXLN-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(11)8(13)12-10(9(14)15)5-3-2-4-6-10/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15)/t7-/m1/s1.
What are the key properties of 1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid?
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 10632420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).