3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid

C13H18N2O4 — CID 102907015

IUPAC3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
SMILESCOCCc1ccccc1NC(=O)NCCC(=O)O
InChIInChI=1S/C13H18N2O4/c1-19-9-7-10-4-2-3-5-11(10)15-13(18)14-8-6-12(16)17/h2-5H,6-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyLVAQWRZEDIMEIK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.47
Rot. Bonds7

About 3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid

3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid (PubChem CID 102907015) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
PubChem CID102907015
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
SMILESCOCCc1ccccc1NC(=O)NCCC(=O)O
InChIInChI=1S/C13H18N2O4/c1-19-9-7-10-4-2-3-5-11(10)15-13(18)14-8-6-12(16)17/h2-5H,6-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyLVAQWRZEDIMEIK-UHFFFAOYSA-N
XLogP1.47
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid
CID 107841438
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
ethyl 2-[[2-(2-methoxyethyl)phenyl]carbamoylamino]acetate
CID 102907562
3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
CID 117235776
(E)-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]-4-oxobut-2-enoic acid
CID 102906598
N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide
CID 102903270
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
2-[2-(3-methoxypropanoylamino)phenyl]acetic acid
CID 55091248
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
N-[2-[2-(2-methoxyethyl)anilino]ethyl]acetamide
CID 107530128
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 102907527
(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide
CID 112746849

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid (CID 102907015) is 3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid is COCCc1ccccc1NC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid?
The InChIKey is LVAQWRZEDIMEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-9-7-10-4-2-3-5-11(10)15-13(18)14-8-6-12(16)17/h2-5H,6-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid?
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 102907015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).