2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid

C12H22N2O3 — CID 54955651

IUPAC2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid
SMILESCCC1CCCCC1NC(=O)NC(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-9-6-4-5-7-10(9)14-12(17)13-8(2)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyYRSGEDUQBIEVJH-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.73
Rot. Bonds4

About 2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid

2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid (PubChem CID 54955651) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid
PubChem CID54955651
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid
SMILESCCC1CCCCC1NC(=O)NC(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-9-6-4-5-7-10(9)14-12(17)13-8(2)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyYRSGEDUQBIEVJH-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 61468105
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid
CID 62478843
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide
CID 54955402
4-[(2-ethylcyclohexyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158850
(2R)-2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)propanoic acid
CID 78995764
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
1-butyl-3-(2-ethylcyclohexyl)urea
CID 115582575
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 71980784
4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239762
N-(2-ethylcyclopentyl)acetamide
CID 130891213

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid (CID 54955651) is 2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid is CCC1CCCCC1NC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid?
The InChIKey is YRSGEDUQBIEVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-9-6-4-5-7-10(9)14-12(17)13-8(2)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid?
2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 54955651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).