[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

C15H21N3O4 — CID 8887318

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate
SMILESCC(C)NC(=O)COC(=O)[C@H](C)NC(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O4/c1-10(2)16-13(19)9-22-14(20)11(3)17-15(21)18-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,19)(H2,17,18,21)/t11-/m0/s1
InChIKeyAVDSAHJPROSSNC-NSHDSACASA-N
MW307.35 g/mol
LogP1.26
Rot. Bonds6

About [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate (PubChem CID 8887318) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate
PubChem CID8887318
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate
SMILESCC(C)NC(=O)COC(=O)[C@H](C)NC(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O4/c1-10(2)16-13(19)9-22-14(20)11(3)17-15(21)18-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,19)(H2,17,18,21)/t11-/m0/s1
InChIKeyAVDSAHJPROSSNC-NSHDSACASA-N
XLogP1.26
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887345
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887574
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887800
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887195
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887341
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887651
[2-(3-methylsulfonylanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8980932
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887138
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887456
(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617134
[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
CID 2520764
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887079

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate (CID 8887318) is [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate is CC(C)NC(=O)COC(=O)[C@H](C)NC(=O)Nc1ccccc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate?
The InChIKey is AVDSAHJPROSSNC-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10(2)16-13(19)9-22-14(20)11(3)17-15(21)18-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,19)(H2,17,18,21)/t11-/m0/s1.
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate?
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate has a molecular weight of 307.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 8887318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).