1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C10H9Cl2NO3S — CID 107959705

IUPAC1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H9Cl2NO3S/c11-6-3-5(7(12)17-6)8(14)13-4-10(1-2-10)9(15)16/h3H,1-2,4H2,(H,13,14)(H,15,16)
InChIKeyNEJDECJERBMSAB-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.65
Rot. Bonds4

About 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 107959705) has the molecular formula C10H9Cl2NO3S and a molecular weight of 294.16 g/mol. Its IUPAC name is 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID107959705
Molecular FormulaC10H9Cl2NO3S
Molecular Weight294.16 g/mol
Exact Mass292.97
IUPAC Name1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H9Cl2NO3S/c11-6-3-5(7(12)17-6)8(14)13-4-10(1-2-10)9(15)16/h3H,1-2,4H2,(H,13,14)(H,15,16)
InChIKeyNEJDECJERBMSAB-UHFFFAOYSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113263350
2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103767627
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060
1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449594
1-[[(2,5-dichlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369097
2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107302139
2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
CID 103919609
1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433117
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
1-[[(2-bromo-5-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 103925713
1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107675104
1-[[(2-hydroxy-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311867

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 107959705) is 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is NEJDECJERBMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3S/c11-6-3-5(7(12)17-6)8(14)13-4-10(1-2-10)9(15)16/h3H,1-2,4H2,(H,13,14)(H,15,16).
What are the key properties of 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 294.16 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 107959705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).