3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid

C12H14ClNO4S — CID 141171022

IUPAC3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(NCC1CC(C(=O)O)CC1O)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClNO4S/c13-10-2-1-9(19-10)11(16)14-5-7-3-6(12(17)18)4-8(7)15/h1-2,6-8,15H,3-5H2,(H,14,16)(H,17,18)
InChIKeyVVRWCEBXOUCUMT-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.60
Rot. Bonds4

About 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid

3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid (PubChem CID 141171022) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid
PubChem CID141171022
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(NCC1CC(C(=O)O)CC1O)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClNO4S/c13-10-2-1-9(19-10)11(16)14-5-7-3-6(12(17)18)4-8(7)15/h1-2,6-8,15H,3-5H2,(H,14,16)(H,17,18)
InChIKeyVVRWCEBXOUCUMT-UHFFFAOYSA-N
XLogP1.60
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 114306808
5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 106126347
5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide
CID 58826442
methyl 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylate
CID 143419901
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209
5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 97040090
(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 69438976
5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane
CID 143722959
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43387544
5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid (CID 141171022) is 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid is O=C(NCC1CC(C(=O)O)CC1O)c1ccc(Cl)s1.
What is the InChIKey of 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is VVRWCEBXOUCUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c13-10-2-1-9(19-10)11(16)14-5-7-3-6(12(17)18)4-8(7)15/h1-2,6-8,15H,3-5H2,(H,14,16)(H,17,18).
What are the key properties of 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid?
3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 303.77 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 141171022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).