2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid

C10H12INO3S — CID 79685739

IUPAC2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1csc(I)c1
InChIInChI=1S/C10H12INO3S/c1-6(2)12(4-9(13)14)10(15)7-3-8(11)16-5-7/h3,5-6H,4H2,1-2H3,(H,13,14)
InChIKeyQDTCOHBSWGCXSU-UHFFFAOYSA-N
MW353.18 g/mol
LogP2.29
Rot. Bonds4

About 2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid

2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 79685739) has the molecular formula C10H12INO3S and a molecular weight of 353.18 g/mol. Its IUPAC name is 2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID79685739
Molecular FormulaC10H12INO3S
Molecular Weight353.18 g/mol
Exact Mass352.96
IUPAC Name2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1csc(I)c1
InChIInChI=1S/C10H12INO3S/c1-6(2)12(4-9(13)14)10(15)7-3-8(11)16-5-7/h3,5-6H,4H2,1-2H3,(H,13,14)
InChIKeyQDTCOHBSWGCXSU-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 79693867
5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79693520
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 78948411
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
CID 104556113
N-(2-chloroethyl)-5-iodo-N-pentan-3-ylthiophene-3-carboxamide
CID 79690111
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
2-[(3-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 112700735
5-iodo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693779
2-[1,3-benzothiazole-6-carbonyl(propan-2-yl)amino]acetic acid
CID 60832571
N-tert-butyl-5-iodo-N-methylthiophene-3-carboxamide
CID 131019852
methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate
CID 78950585

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid (CID 79685739) is 2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1csc(I)c1.
What is the InChIKey of 2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is QDTCOHBSWGCXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO3S/c1-6(2)12(4-9(13)14)10(15)7-3-8(11)16-5-7/h3,5-6H,4H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid?
2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 353.18 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodothiophene-3-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 79685739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).