1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid

C11H20N2O3 — CID 61158693

IUPAC1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
SMILESCCC(N)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H20N2O3/c1-2-8(12)9(14)13-11(10(15)16)6-4-3-5-7-11/h8H,2-7,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyDBJVCMYDEVTZNR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.63
Rot. Bonds4

About 1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid

1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 61158693) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
PubChem CID61158693
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
SMILESCCC(N)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H20N2O3/c1-2-8(12)9(14)13-11(10(15)16)6-4-3-5-7-11/h8H,2-7,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyDBJVCMYDEVTZNR-UHFFFAOYSA-N
XLogP0.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
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-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid
CID 81089146
2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
CID 64684113
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 76894061
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 43358918
1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid
CID 82984418
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid
CID 79845445
1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 76894205

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid (CID 61158693) is 1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid is CCC(N)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is DBJVCMYDEVTZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-8(12)9(14)13-11(10(15)16)6-4-3-5-7-11/h8H,2-7,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid?
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61158693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).