(2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid

C14H20N2O4 — CID 103998243

IUPAC(2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid
SMILESCCOCC(C)NC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-3-20-9-10(2)15-14(19)16-12(13(17)18)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,17,18)(H2,15,16,19)/t10?,12-/m0/s1
InChIKeyKYEUMGHNXJUFCE-KFJBMODSSA-N
MW280.32 g/mol
LogP1.54
Rot. Bonds7

About (2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid

(2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid (PubChem CID 103998243) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid
PubChem CID103998243
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid
SMILESCCOCC(C)NC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-3-20-9-10(2)15-14(19)16-12(13(17)18)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,17,18)(H2,15,16,19)/t10?,12-/m0/s1
InChIKeyKYEUMGHNXJUFCE-KFJBMODSSA-N
XLogP1.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid 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)-2-(pentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 113363099
2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 63927354
(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61465982
(2S)-2-(3-ethoxypropylcarbamoylamino)-2-phenylacetic acid
CID 103994194
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
(2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid
CID 103996411
2-[2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]phenyl]acetic acid
CID 81311152
2-(1-ethoxypropan-2-ylcarbamoyl)-3,6-dimethylbenzoic acid
CID 103429008
(2S)-2-(2-methylbutylcarbamoylamino)-2-phenylacetic acid
CID 104899033
(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
CID 95320744
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61187307
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid (CID 103998243) is (2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid is CCOCC(C)NC(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is KYEUMGHNXJUFCE-KFJBMODSSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-20-9-10(2)15-14(19)16-12(13(17)18)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,17,18)(H2,15,16,19)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid?
(2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-ethoxypropan-2-ylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 103998243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).