5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid

C10H12ClNO3S — CID 80645328

IUPAC5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1sccc1Cl
InChIInChI=1S/C10H12ClNO3S/c11-7-4-6-16-9(7)10(15)12-5-2-1-3-8(13)14/h4,6H,1-3,5H2,(H,12,15)(H,13,14)
InChIKeyHUYASYUOCAVKLJ-UHFFFAOYSA-N
MW261.73 g/mol
LogP2.39
Rot. Bonds6

About 5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid

5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 80645328) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
PubChem CID80645328
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1sccc1Cl
InChIInChI=1S/C10H12ClNO3S/c11-7-4-6-16-9(7)10(15)12-5-2-1-3-8(13)14/h4,6H,1-3,5H2,(H,12,15)(H,13,14)
InChIKeyHUYASYUOCAVKLJ-UHFFFAOYSA-N
XLogP2.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
CID 80643926
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide
CID 80645274
N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
CID 80644124
3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide
CID 106307128
4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645329
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347
4-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063453
3-[(3-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 80645417
4-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]butanoic acid
CID 80644849
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 114469581
5-[(3-bromo-4-chlorobenzoyl)amino]pentanoic acid
CID 107997905

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid (CID 80645328) is 5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)c1sccc1Cl.
What is the InChIKey of 5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is HUYASYUOCAVKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c11-7-4-6-16-9(7)10(15)12-5-2-1-3-8(13)14/h4,6H,1-3,5H2,(H,12,15)(H,13,14).
What are the key properties of 5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid?
5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid has a molecular weight of 261.73 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 80645328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).