4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid

C12H22N2O4 — CID 43329797

IUPAC4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H22N2O4/c1-14(8-2-3-11(16)17)12(18)13-9-4-6-10(15)7-5-9/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyRYQRASRVBCLPRC-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.80
Rot. Bonds5

About 4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid

4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid (PubChem CID 43329797) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid
PubChem CID43329797
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H22N2O4/c1-14(8-2-3-11(16)17)12(18)13-9-4-6-10(15)7-5-9/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyRYQRASRVBCLPRC-UHFFFAOYSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxycyclohexyl)-1-(2-methoxyethyl)-1-methylurea
CID 47326407
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
CID 54867773
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63700992
3-[(3,4-dimethylcyclohexyl)carbamoyl-methylamino]propanoic acid
CID 64743332
3-[(2,6-dimethylcyclohexyl)carbamoyl-methylamino]propanoic acid
CID 122004955
3-cyclopropyl-1-[2-(dimethylcarbamoylamino)ethyl]-1-methylurea
CID 75449864
3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361423
2-[cyclopropylcarbamoyl(methyl)amino]acetamide
CID 115583065
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
3-[cyclopropylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61187933
4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
CID 61187931
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid?
The IUPAC name of 4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid (CID 43329797) is 4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)NC1CCC(O)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid?
The InChIKey is RYQRASRVBCLPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-14(8-2-3-11(16)17)12(18)13-9-4-6-10(15)7-5-9/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid?
4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)carbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 43329797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).