2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid

C14H19N3O4 — CID 65219158

IUPAC2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)Nc1cccc(NC(C)=O)c1)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-3-10(13(19)20)8-15-14(21)17-12-6-4-5-11(7-12)16-9(2)18/h4-7,10H,3,8H2,1-2H3,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyNYIRLTNFLFLVRC-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.88
Rot. Bonds6

About 2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid

2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid (PubChem CID 65219158) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid
PubChem CID65219158
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)Nc1cccc(NC(C)=O)c1)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-3-10(13(19)20)8-15-14(21)17-12-6-4-5-11(7-12)16-9(2)18/h4-7,10H,3,8H2,1-2H3,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyNYIRLTNFLFLVRC-UHFFFAOYSA-N
XLogP1.88
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid
CID 65222360
2-[[(3-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 65217917
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide
CID 56794680
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
2-[[[2-(3-acetamidophenyl)acetyl]amino]methyl]pentanoic acid
CID 126814810
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316
4,4-dimethyl-2-[[(3-methylphenyl)carbamoylamino]methyl]pentanoic acid
CID 107473750
2-[[(4-acetamidobenzoyl)amino]methyl]butanoic acid
CID 65218021
2-[[(3-bromophenyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473884
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
2-[[(4-sulfamoylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219240

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid?
The IUPAC name of 2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid (CID 65219158) is 2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid is CCC(CNC(=O)Nc1cccc(NC(C)=O)c1)C(=O)O.
What is the InChIKey of 2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid?
The InChIKey is NYIRLTNFLFLVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-10(13(19)20)8-15-14(21)17-12-6-4-5-11(7-12)16-9(2)18/h4-7,10H,3,8H2,1-2H3,(H,16,18)(H,19,20)(H2,15,17,21).
What are the key properties of 2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid?
2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 65219158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).