2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid

C15H22N2O3 — CID 62988748

IUPAC2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid
SMILESCC(CCNC(=O)N(C)C(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(13-7-5-4-6-8-13)9-10-16-15(20)17(3)12(2)14(18)19/h4-8,11-12H,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyIPVQFLBNENDSCM-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.29
Rot. Bonds6

About 2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid

2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid (PubChem CID 62988748) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid
PubChem CID62988748
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid
SMILESCC(CCNC(=O)N(C)C(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(13-7-5-4-6-8-13)9-10-16-15(20)17(3)12(2)14(18)19/h4-8,11-12H,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyIPVQFLBNENDSCM-UHFFFAOYSA-N
XLogP2.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylbutyl)benzamide
CID 62403316
3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
1-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-[(3S)-3-phenylbutyl]urea
CID 97019609
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
1-butyl-3-(3-phenylbutyl)urea
CID 115600283
(2S)-3-hydroxy-2-(3-phenylbutylcarbamoylamino)propanoic acid
CID 62989102
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea
CID 83116479
5-oxo-5-(3-phenylbutylamino)pentanoic acid
CID 62987506

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid (CID 62988748) is 2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid is CC(CCNC(=O)N(C)C(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid?
The InChIKey is IPVQFLBNENDSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(13-7-5-4-6-8-13)9-10-16-15(20)17(3)12(2)14(18)19/h4-8,11-12H,9-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid?
2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 62988748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).