(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate

C11H13N2O4- — CID 7647483

IUPAC(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
SMILESCOc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1
InChIInChI=1S/C11H14N2O4/c1-7(10(14)15)12-11(16)13-8-3-5-9(17-2)6-4-8/h3-7H,1-2H3,(H,14,15)(H2,12,13,16)/p-1/t7-/m0/s1
InChIKeyUAWFKKWESUEKCZ-ZETCQYMHSA-M
MW237.23 g/mol
LogP-0.04
Rot. Bonds4

About (2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate

(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate (PubChem CID 7647483) has the molecular formula C11H13N2O4- and a molecular weight of 237.23 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
PubChem CID7647483
Molecular FormulaC11H13N2O4-
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
SMILESCOc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1
InChIInChI=1S/C11H14N2O4/c1-7(10(14)15)12-11(16)13-8-3-5-9(17-2)6-4-8/h3-7H,1-2H3,(H,14,15)(H2,12,13,16)/p-1/t7-/m0/s1
InChIKeyUAWFKKWESUEKCZ-ZETCQYMHSA-M
XLogP-0.04
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1,3-bis(4-methoxyphenyl)urea
CID 139045428
3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 16772859
methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
CID 5389782
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
methyl (2S,3R)-2-[(4-methoxyphenyl)carbamoylamino]-3-methylpentanoate
CID 944653
methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
CID 5151052
methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
CID 70407448
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 70988210
1-butan-2-yl-3-[4-[2-(4-methoxyanilino)ethylamino]phenyl]urea
CID 130268599

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate (CID 7647483) is (2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate is COc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate?
The InChIKey is UAWFKKWESUEKCZ-ZETCQYMHSA-M. The full InChI is InChI=1S/C11H14N2O4/c1-7(10(14)15)12-11(16)13-8-3-5-9(17-2)6-4-8/h3-7H,1-2H3,(H,14,15)(H2,12,13,16)/p-1/t7-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate?
(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate has a molecular weight of 237.23 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 7647483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).