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

C15H22N2O3S — CID 62852847

IUPAC3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H22N2O3S/c1-3-16(9-11(2)14(18)19)15(20)17(12-6-7-12)10-13-5-4-8-21-13/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyJTGLUGCGPPUCFP-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.88
Rot. Bonds7

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

3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62852847) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62852847
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H22N2O3S/c1-3-16(9-11(2)14(18)19)15(20)17(12-6-7-12)10-13-5-4-8-21-13/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyJTGLUGCGPPUCFP-UHFFFAOYSA-N
XLogP2.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid
CID 61449309
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
3-[cyclopropyl-[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61437782
3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 79488513
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 55097027
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272195
(2S)-2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61449382
3-[ethyl(2-thiophen-2-ylethyl)amino]-2-methylpropanoic acid
CID 63774209
3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223201

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid (CID 62852847) is 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is JTGLUGCGPPUCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-16(9-11(2)14(18)19)15(20)17(12-6-7-12)10-13-5-4-8-21-13/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid?
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 310.42 g/mol, XLogP of 2.88, 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]-2-methylpropanoic acid is sourced from PubChem (CID 62852847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).