(2S)-2-(N-carbamoylanilino)propanoic acid

C10H12N2O3 — CID 54468578

IUPAC(2S)-2-(N-carbamoylanilino)propanoic acid
SMILESC[C@@H](C(=O)O)N(C(N)=O)c1ccccc1
InChIInChI=1S/C10H12N2O3/c1-7(9(13)14)12(10(11)15)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,15)(H,13,14)/t7-/m0/s1
InChIKeyXGRQLZYQDPBTLL-ZETCQYMHSA-N
MW208.22 g/mol
LogP1.04
Rot. Bonds3

About (2S)-2-(N-carbamoylanilino)propanoic acid

(2S)-2-(N-carbamoylanilino)propanoic acid (PubChem CID 54468578) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2S)-2-(N-carbamoylanilino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(N-carbamoylanilino)propanoic acid
PubChem CID54468578
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2S)-2-(N-carbamoylanilino)propanoic acid
SMILESC[C@@H](C(=O)O)N(C(N)=O)c1ccccc1
InChIInChI=1S/C10H12N2O3/c1-7(9(13)14)12(10(11)15)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,15)(H,13,14)/t7-/m0/s1
InChIKeyXGRQLZYQDPBTLL-ZETCQYMHSA-N
XLogP1.04
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(N-(2-phenylacetyl)anilino)propanamide
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(2S)-2-(N-methoxyanilino)propanoic acid
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CID 15339252
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2-[N-(carboxymethyl)anilino]propanoic acid
CID 66721985
2-(N-phosphonoanilino)propanoic acid
CID 138544038
(2S)-2-(N-(2-morpholin-4-ylacetyl)anilino)propanoic acid
CID 18658189
(2S)-2-[N-(2,3-dihydro-1-benzofuran-2-carbonyl)anilino]propanoic acid
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1,1-diphenylurea
CID 174849888
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(N-carbamoylanilino)propanoic acid?
The IUPAC name of (2S)-2-(N-carbamoylanilino)propanoic acid (CID 54468578) is (2S)-2-(N-carbamoylanilino)propanoic acid.
What is the SMILES notation for (2S)-2-(N-carbamoylanilino)propanoic acid?
The canonical SMILES for (2S)-2-(N-carbamoylanilino)propanoic acid is C[C@@H](C(=O)O)N(C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-2-(N-carbamoylanilino)propanoic acid?
The InChIKey is XGRQLZYQDPBTLL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(9(13)14)12(10(11)15)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,15)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-(N-carbamoylanilino)propanoic acid?
(2S)-2-(N-carbamoylanilino)propanoic acid has a molecular weight of 208.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(N-carbamoylanilino)propanoic acid is sourced from PubChem (CID 54468578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).