3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid

C14H20N2O3S — CID 61449309

IUPAC3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H20N2O3S/c1-2-15(8-7-13(17)18)14(19)16(11-5-6-11)10-12-4-3-9-20-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,17,18)
InChIKeyMXMXJPAFCIVJFT-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.63
Rot. Bonds7

About 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid

3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid (PubChem CID 61449309) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid
PubChem CID61449309
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H20N2O3S/c1-2-15(8-7-13(17)18)14(19)16(11-5-6-11)10-12-4-3-9-20-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,17,18)
InChIKeyMXMXJPAFCIVJFT-UHFFFAOYSA-N
XLogP2.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61437782
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62852847
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
3-[cyclopropyl-[methyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61197167
3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487712
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272195
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
3-[ethyl(thiophen-2-ylmethylcarbamoyl)amino]propanoic acid
CID 61196356
2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026960
3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid (CID 61449309) is 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid?
The InChIKey is MXMXJPAFCIVJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-15(8-7-13(17)18)14(19)16(11-5-6-11)10-12-4-3-9-20-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,17,18).
What are the key properties of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid?
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid has a molecular weight of 296.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid is sourced from PubChem (CID 61449309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).