3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid

C13H18N2O4S — CID 106109863

IUPAC3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(Cc1cccs1)C1CC1)C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-19-11(12(16)17)7-14-13(18)15(9-4-5-9)8-10-3-2-6-20-10/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyYVNBSFMLDFSOHR-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.52
Rot. Bonds7

About 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid

3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 106109863) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid
PubChem CID106109863
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(Cc1cccs1)C1CC1)C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-19-11(12(16)17)7-14-13(18)15(9-4-5-9)8-10-3-2-6-20-10/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyYVNBSFMLDFSOHR-UHFFFAOYSA-N
XLogP1.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223201
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62478659
(2S)-2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61449382
1-cyclopropyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-2-ylmethyl)urea
CID 86999745
2-methoxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 114144206
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 114144655
N-cyclopropyl-5-(methoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 78852303
1-cyclopropyl-3-[[2-(propoxymethyl)phenyl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 87007968
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61449689
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272195

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid (CID 106109863) is 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)N(Cc1cccs1)C1CC1)C(=O)O.
What is the InChIKey of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is YVNBSFMLDFSOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-11(12(16)17)7-14-13(18)15(9-4-5-9)8-10-3-2-6-20-10/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid?
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 298.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).