2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid

C18H27N3O4 — CID 119192368

IUPAC2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CCNC(=O)N(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H27N3O4/c1-4-11-18(2,16(23)24)20-15(22)10-12-19-17(25)21(3)13-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyMEQZLKLRLZRYFN-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.98
Rot. Bonds9

About 2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid

2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid (PubChem CID 119192368) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid
PubChem CID119192368
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CCNC(=O)N(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H27N3O4/c1-4-11-18(2,16(23)24)20-15(22)10-12-19-17(25)21(3)13-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyMEQZLKLRLZRYFN-UHFFFAOYSA-N
XLogP1.98
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119598846
2-(3-acetamidopropanoylamino)-2-methylpentanoic acid
CID 43618824
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylpentanoic acid
CID 43618799
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
2-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl-propylamino]acetic acid
CID 119205547
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451808
3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-N-propylpropanamide
CID 60547111
1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874551

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid (CID 119192368) is 2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid is CCCC(C)(NC(=O)CCNC(=O)N(C)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid?
The InChIKey is MEQZLKLRLZRYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-4-11-18(2,16(23)24)20-15(22)10-12-19-17(25)21(3)13-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid?
2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid has a molecular weight of 349.43 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-methylpentanoic acid is sourced from PubChem (CID 119192368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).