3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid

C15H28N2O3 — CID 122002482

IUPAC3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid
SMILESCC(CCC1CCCCC1)NC(=O)N(C)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-12(8-9-13-6-4-3-5-7-13)16-15(20)17(2)11-10-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDPHVEXDCFGITCL-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds7

About 3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid

3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid (PubChem CID 122002482) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid
PubChem CID122002482
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid
SMILESCC(CCC1CCCCC1)NC(=O)N(C)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-12(8-9-13-6-4-3-5-7-13)16-15(20)17(2)11-10-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDPHVEXDCFGITCL-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid
CID 62405987
3-[1-cyclopentylpropylcarbamoyl(methyl)amino]propanoic acid
CID 122016782
3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
CID 115736297
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid
CID 20558858
3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 61181719
(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
CID 63657379
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid (CID 122002482) is 3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid is CC(CCC1CCCCC1)NC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid?
The InChIKey is DPHVEXDCFGITCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(8-9-13-6-4-3-5-7-13)16-15(20)17(2)11-10-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid?
3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 122002482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).