4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid

C12H19NO2S — CID 62214541

IUPAC4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)N(C)C(C)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-9(6-7-12(14)15)13(3)10(2)11-5-4-8-16-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,15)
InChIKeyKEZAKHKCPXCDQP-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.99
Rot. Bonds6

About 4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid

4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid (PubChem CID 62214541) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
PubChem CID62214541
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)N(C)C(C)c1cccs1
InChIInChI=1S/C12H19NO2S/c1-9(6-7-12(14)15)13(3)10(2)11-5-4-8-16-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,15)
InChIKeyKEZAKHKCPXCDQP-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
4,4,4-trifluoro-3-[methyl(1-thiophen-2-ylethyl)amino]butanoic acid
CID 63068842
3-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropanoic acid
CID 63068841
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
1-N-tert-butyl-3-N-methyl-3-N-(1-thiophen-2-ylethyl)butane-1,3-diamine
CID 62431010
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
4-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 54981184
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide
CID 5061929

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid?
The IUPAC name of 4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid (CID 62214541) is 4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid.
What is the SMILES notation for 4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid?
The canonical SMILES for 4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid is CC(CCC(=O)O)N(C)C(C)c1cccs1.
What is the InChIKey of 4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid?
The InChIKey is KEZAKHKCPXCDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(6-7-12(14)15)13(3)10(2)11-5-4-8-16-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid?
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid has a molecular weight of 241.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid is sourced from PubChem (CID 62214541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).