[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate

C17H16ClN3O4 — CID 8854260

IUPAC[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H16ClN3O4/c1-11(16(23)21-13-5-3-2-4-6-13)25-15(22)10-20-17(24)14-9-12(18)7-8-19-14/h2-9,11H,10H2,1H3,(H,20,24)(H,21,23)/t11-/m0/s1
InChIKeyTWJVNUSPSSQUTA-NSHDSACASA-N
MW361.79 g/mol
LogP2.04
Rot. Bonds6

About [(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate

[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate (PubChem CID 8854260) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
PubChem CID8854260
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC Name[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H16ClN3O4/c1-11(16(23)21-13-5-3-2-4-6-13)25-15(22)10-20-17(24)14-9-12(18)7-8-19-14/h2-9,11H,10H2,1H3,(H,20,24)(H,21,23)/t11-/m0/s1
InChIKeyTWJVNUSPSSQUTA-NSHDSACASA-N
XLogP2.04
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate 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

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854034
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854281
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854029
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 9307857
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 9307888
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-chloropyridine-2-carboxylate
CID 8905524
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884294
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363857
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-chloropyridine-2-carboxylate
CID 8904838
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363647
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879966
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548014

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate (CID 8854260) is [(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate is C[C@H](OC(=O)CNC(=O)c1cc(Cl)ccn1)C(=O)Nc1ccccc1.
What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The InChIKey is TWJVNUSPSSQUTA-NSHDSACASA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-11(16(23)21-13-5-3-2-4-6-13)25-15(22)10-20-17(24)14-9-12(18)7-8-19-14/h2-9,11H,10H2,1H3,(H,20,24)(H,21,23)/t11-/m0/s1.
What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate has a molecular weight of 361.79 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 8854260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).