2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid

C12H17ClN2O3S — CID 61470647

IUPAC2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NC(C)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C12H17ClN2O3S/c1-3-4-8(11(16)17)15-12(18)14-7(2)9-5-6-10(13)19-9/h5-8H,3-4H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyIYQGANPNCRATDZ-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.02
Rot. Bonds6

About 2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid

2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid (PubChem CID 61470647) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid
PubChem CID61470647
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NC(C)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C12H17ClN2O3S/c1-3-4-8(11(16)17)15-12(18)14-7(2)9-5-6-10(13)19-9/h5-8H,3-4H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyIYQGANPNCRATDZ-UHFFFAOYSA-N
XLogP3.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]hexanoic acid
CID 107145690
(2S)-2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 61470760
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 61470581
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid
CID 18071951
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
(2S)-2-[1-(3-chlorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566512
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566505
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid (CID 61470647) is 2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid is CCCC(NC(=O)NC(C)c1ccc(Cl)s1)C(=O)O.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is IYQGANPNCRATDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-3-4-8(11(16)17)15-12(18)14-7(2)9-5-6-10(13)19-9/h5-8H,3-4H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid?
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 304.80 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 61470647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).