2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid

C14H26N2O3 — CID 62406177

IUPAC2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)C(C)C)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-10(2)16(9-13(17)18)14(19)15-11(3)12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHMAXPMSFXDJFSK-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds5

About 2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid

2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid (PubChem CID 62406177) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid
PubChem CID62406177
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)C(C)C)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-10(2)16(9-13(17)18)14(19)15-11(3)12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHMAXPMSFXDJFSK-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid
CID 62405987
3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid
CID 62826284
2-[butan-2-yl(1-cyclopropylethylcarbamoyl)amino]acetic acid
CID 61197936
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184
2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
CID 60828429
3-(1-cyclobutylethyl)-1,1-dimethylurea
CID 115766548
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid (CID 62406177) is 2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid is CC(NC(=O)N(CC(=O)O)C(C)C)C1CCCCC1.
What is the InChIKey of 2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid?
The InChIKey is HMAXPMSFXDJFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)16(9-13(17)18)14(19)15-11(3)12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid?
2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 62406177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).