[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate

C15H20N2O4 — CID 7949758

IUPAC[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
SMILESCC[C@@H](C)NC(=O)COC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-4-10(2)16-14(19)9-21-15(20)12-5-7-13(8-6-12)17-11(3)18/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeySNONGJQFVQQFOO-SNVBAGLBSA-N
MW292.34 g/mol
LogP1.72
Rot. Bonds6

About [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 7949758) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
PubChem CID7949758
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
SMILESCC[C@@H](C)NC(=O)COC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-4-10(2)16-14(19)9-21-15(20)12-5-7-13(8-6-12)17-11(3)18/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeySNONGJQFVQQFOO-SNVBAGLBSA-N
XLogP1.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate 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-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949759
[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate
CID 7654146
4-O-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296484
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015974
[2-(butan-2-ylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195539
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-acetamidobenzoate
CID 7654302
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949966
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563385
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-(carbamoylamino)benzoate
CID 2527364
4-acetamido-N-butan-2-ylbenzamide
CID 4540233

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate (CID 7949758) is [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate is CC[C@@H](C)NC(=O)COC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is SNONGJQFVQQFOO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-10(2)16-14(19)9-21-15(20)12-5-7-13(8-6-12)17-11(3)18/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,17,18)/t10-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate?
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 292.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 7949758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).