4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid

C14H19N3O4 — CID 43359989

IUPAC4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O4/c1-17(9-5-8-13(19)20)12(18)10-15-14(21)16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyCSRAFKSPKHYXNZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.13
Rot. Bonds7

About 4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid

4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid (PubChem CID 43359989) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
PubChem CID43359989
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O4/c1-17(9-5-8-13(19)20)12(18)10-15-14(21)16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyCSRAFKSPKHYXNZ-UHFFFAOYSA-N
XLogP1.13
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-[3-[4-(phenylcarbamoylamino)phenyl]propanoylamino]acetyl]amino]propanoic acid
CID 22950869
N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 167926693
methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate
CID 43409770
4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
CID 119172823
4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43359941
N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide
CID 42928470
4-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]butanoic acid
CID 43172456
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
3-[[2-[(2-chlorobenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 60988640
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
5-[[2-(methoxycarbonylamino)acetyl]-methylamino]pentanoic acid
CID 88919020

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid (CID 43359989) is 4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)CNC(=O)Nc1ccccc1.
What is the InChIKey of 4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid?
The InChIKey is CSRAFKSPKHYXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-17(9-5-8-13(19)20)12(18)10-15-14(21)16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,19,20)(H2,15,16,21).
What are the key properties of 4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid?
4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid is sourced from PubChem (CID 43359989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).