2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid

C14H19ClN2O3 — CID 79790533

IUPAC2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NCC(=O)NCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-3-14(2,13(19)20)17-9-12(18)16-8-10-4-6-11(15)7-5-10/h4-7,17H,3,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNUAVDNRZXDEKAG-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.80
Rot. Bonds7

About 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid

2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid (PubChem CID 79790533) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
PubChem CID79790533
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NCC(=O)NCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-3-14(2,13(19)20)17-9-12(18)16-8-10-4-6-11(15)7-5-10/h4-7,17H,3,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNUAVDNRZXDEKAG-UHFFFAOYSA-N
XLogP1.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic 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

2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789880
2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid
CID 79812535
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79791570
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79791574
2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 65264174
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788
N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide
CID 68695951
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801477
2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223186
2-[(3,4-dichlorophenyl)methylamino]-2-methylbutanoic acid
CID 79791567
(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 83193742

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid (CID 79790533) is 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid is CCC(C)(NCC(=O)NCc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid?
The InChIKey is NUAVDNRZXDEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-3-14(2,13(19)20)17-9-12(18)16-8-10-4-6-11(15)7-5-10/h4-7,17H,3,8-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid?
2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid has a molecular weight of 298.77 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79790533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).