[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate

C14H18N2O5 — CID 7229925

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)O[C@@H](C)C(=O)NC(N)=O
InChIInChI=1S/C14H18N2O5/c1-3-11(21-10-7-5-4-6-8-10)13(18)20-9(2)12(17)16-14(15)19/h4-9,11H,3H2,1-2H3,(H3,15,16,17,19)/t9-,11+/m0/s1
InChIKeyOVSIMNSJTBFKAP-GXSJLCMTSA-N
MW294.31 g/mol
LogP0.97
Rot. Bonds6

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate (PubChem CID 7229925) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate
PubChem CID7229925
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)O[C@@H](C)C(=O)NC(N)=O
InChIInChI=1S/C14H18N2O5/c1-3-11(21-10-7-5-4-6-8-10)13(18)20-9(2)12(17)16-14(15)19/h4-9,11H,3H2,1-2H3,(H3,15,16,17,19)/t9-,11+/m0/s1
InChIKeyOVSIMNSJTBFKAP-GXSJLCMTSA-N
XLogP0.97
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate 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-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7811318
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7229778
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772782
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate
CID 7555677
propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672618
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate
CID 8841250
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791134
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7149760
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7555560

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate (CID 7229925) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate is CC[C@@H](Oc1ccccc1)C(=O)O[C@@H](C)C(=O)NC(N)=O.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate?
The InChIKey is OVSIMNSJTBFKAP-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-11(21-10-7-5-4-6-8-10)13(18)20-9(2)12(17)16-14(15)19/h4-9,11H,3H2,1-2H3,(H3,15,16,17,19)/t9-,11+/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate has a molecular weight of 294.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate is sourced from PubChem (CID 7229925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).