2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide

C9H13ClN2O2S — CID 115180056

IUPAC2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
SMILESNC(CO)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2O2S/c10-8-2-1-6(15-8)3-4-12-9(14)7(11)5-13/h1-2,7,13H,3-5,11H2,(H,12,14)
InChIKeyOERBAJZSHJJCIF-UHFFFAOYSA-N
MW248.73 g/mol
LogP0.38
Rot. Bonds5

About 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide

2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide (PubChem CID 115180056) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
PubChem CID115180056
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
SMILESNC(CO)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2O2S/c10-8-2-1-6(15-8)3-4-12-9(14)7(11)5-13/h1-2,7,13H,3-5,11H2,(H,12,14)
InChIKeyOERBAJZSHJJCIF-UHFFFAOYSA-N
XLogP0.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
CID 86996141
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 103809470
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 114140578
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119735845
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119950206
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide (CID 115180056) is 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide is NC(CO)C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide?
The InChIKey is OERBAJZSHJJCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c10-8-2-1-6(15-8)3-4-12-9(14)7(11)5-13/h1-2,7,13H,3-5,11H2,(H,12,14).
What are the key properties of 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide?
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide has a molecular weight of 248.73 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide is sourced from PubChem (CID 115180056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).