2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid

C11H15ClN2O3S — CID 18071951

IUPAC2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NCc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-8(10(15)16)14-11(17)13-6-7-4-5-9(12)18-7/h4-5,8H,2-3,6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyQVYYVLUYEANARZ-UHFFFAOYSA-N
MW290.77 g/mol
LogP2.45
Rot. Bonds6

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

2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 18071951) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid
PubChem CID18071951
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NCc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-8(10(15)16)14-11(17)13-6-7-4-5-9(12)18-7/h4-5,8H,2-3,6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyQVYYVLUYEANARZ-UHFFFAOYSA-N
XLogP2.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 29295898
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid
CID 81082349
(2S)-2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106005543
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid
CID 61470647
ethyl 2-[(5-chlorothiophen-2-yl)methylamino]pentanoate
CID 79040384
2-[(2,5-dichlorophenyl)methylcarbamoylamino]pentanoic acid
CID 65315785
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
2-[(4-chloro-2-fluorophenyl)methylcarbamoylamino]pentanoic acid
CID 114848472
(2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid
CID 80756878
2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 106421246
2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]-3-methoxypropanoic acid
CID 106039755
(2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid
CID 114111844

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid (CID 18071951) is 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid is CCCC(NC(=O)NCc1ccc(Cl)s1)C(=O)O.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is QVYYVLUYEANARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-2-3-8(10(15)16)14-11(17)13-6-7-4-5-9(12)18-7/h4-5,8H,2-3,6H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid?
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 290.77 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 18071951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).