(2S)-2-(carbamoylamino)-2-phenylpropanoic acid

C10H12N2O3 — CID 94456492

IUPAC(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
SMILESC[C@@](NC(N)=O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H12N2O3/c1-10(8(13)14,12-9(11)15)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14)(H3,11,12,15)/t10-/m0/s1
InChIKeyAQKADTOEOXISQG-JTQLQIEISA-N
MW208.22 g/mol
LogP0.65
Rot. Bonds3

About (2S)-2-(carbamoylamino)-2-phenylpropanoic acid

(2S)-2-(carbamoylamino)-2-phenylpropanoic acid (PubChem CID 94456492) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
PubChem CID94456492
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
SMILESC[C@@](NC(N)=O)(C(=O)O)c1ccccc1
InChIInChI=1S/C10H12N2O3/c1-10(8(13)14,12-9(11)15)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14)(H3,11,12,15)/t10-/m0/s1
InChIKeyAQKADTOEOXISQG-JTQLQIEISA-N
XLogP0.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid
CID 76944505
2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid
CID 70071240
2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid
CID 65464716
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-2-phenylpropanoic acid?
The IUPAC name of (2S)-2-(carbamoylamino)-2-phenylpropanoic acid (CID 94456492) is (2S)-2-(carbamoylamino)-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(carbamoylamino)-2-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(carbamoylamino)-2-phenylpropanoic acid is C[C@@](NC(N)=O)(C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(carbamoylamino)-2-phenylpropanoic acid?
The InChIKey is AQKADTOEOXISQG-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12N2O3/c1-10(8(13)14,12-9(11)15)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14)(H3,11,12,15)/t10-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-2-phenylpropanoic acid?
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 94456492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).