(2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid

C9H10ClNO3S — CID 98015763

IUPAC(2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C9H10ClNO3S/c1-5(9(13)14)11-8(12)4-6-2-3-7(10)15-6/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyJVIDELROSQWNKB-RXMQYKEDSA-N
MW247.70 g/mol
LogP1.53
Rot. Bonds4

About (2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid

(2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid (PubChem CID 98015763) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is (2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid
PubChem CID98015763
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name(2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C9H10ClNO3S/c1-5(9(13)14)11-8(12)4-6-2-3-7(10)15-6/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyJVIDELROSQWNKB-RXMQYKEDSA-N
XLogP1.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
CID 110767654
ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate
CID 124854439
3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 78888236
(2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid
CID 104876424
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1-hydroxypropan-2-yl)acetamide
CID 43418794
3-[2-(5-chlorothiophen-2-yl)ethylamino]butanoic acid
CID 106036883
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]propanoate
CID 47368145
(2S)-2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 29295898
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283632
(2S)-2-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 61439670
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoic acid
CID 43171672
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid (CID 98015763) is (2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid is C[C@@H](NC(=O)Cc1ccc(Cl)s1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid?
The InChIKey is JVIDELROSQWNKB-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-5(9(13)14)11-8(12)4-6-2-3-7(10)15-6/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid has a molecular weight of 247.70 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 98015763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).