(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

C14H19N3O4 — CID 7617134

IUPAC(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)OCC(N)=O
InChIInChI=1S/C14H19N3O4/c1-9(2)12(13(19)21-8-11(15)18)17-14(20)16-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H2,15,18)(H2,16,17,20)/t12-/m0/s1
InChIKeyKYSOAEUFSVEGMQ-LBPRGKRZSA-N
MW293.32 g/mol
LogP0.86
Rot. Bonds6

About (2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate (PubChem CID 7617134) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
PubChem CID7617134
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)OCC(N)=O
InChIInChI=1S/C14H19N3O4/c1-9(2)12(13(19)21-8-11(15)18)17-14(20)16-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H2,15,18)(H2,16,17,20)/t12-/m0/s1
InChIKeyKYSOAEUFSVEGMQ-LBPRGKRZSA-N
XLogP0.86
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616948
[2-(4-carbamoylanilino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617290
[2-(benzylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617252
[2-(N-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617162
[2-(4-acetylanilino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617308
[2-(4-acetylanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617307
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 9459247
[2-(2-methoxyethylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616904
[2-[4-(dimethylamino)anilino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617215
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617103
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616777
[2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617061

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The IUPAC name of (2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate (CID 7617134) is (2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The canonical SMILES for (2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate is CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The InChIKey is KYSOAEUFSVEGMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(2)12(13(19)21-8-11(15)18)17-14(20)16-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H2,15,18)(H2,16,17,20)/t12-/m0/s1.
What are the key properties of (2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate?
(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate has a molecular weight of 293.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate is sourced from PubChem (CID 7617134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).