2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid

C10H13ClN2O4S — CID 81082349

IUPAC2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)NCc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C10H13ClN2O4S/c1-17-5-7(9(14)15)13-10(16)12-4-6-2-3-8(11)18-6/h2-3,7H,4-5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyRFWVSLBMDCQYQQ-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.30
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid

2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid (PubChem CID 81082349) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid
PubChem CID81082349
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)NCc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C10H13ClN2O4S/c1-17-5-7(9(14)15)13-10(16)12-4-6-2-3-8(11)18-6/h2-3,7H,4-5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyRFWVSLBMDCQYQQ-UHFFFAOYSA-N
XLogP1.30
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]-3-methoxypropanoic acid
CID 106039755
(2S)-2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 29295898
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid
CID 18071951
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
(2R)-3-hydroxy-2-[(5-methylthiophen-2-yl)methylcarbamoylamino]propanoic acid
CID 80756878
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
3-methoxy-2-[(4-methylthiophen-3-yl)methylcarbamoylamino]propanoic acid
CID 81082268
2-[3-(5-chlorothiophen-2-yl)propanoylamino]-4-methoxybutanoic acid
CID 120703252
3-methoxy-2-[(5-methylthiophen-2-yl)methylamino]propanoic acid
CID 103248296
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide
CID 106112944

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid (CID 81082349) is 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid is COCC(NC(=O)NCc1ccc(Cl)s1)C(=O)O.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid?
The InChIKey is RFWVSLBMDCQYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-17-5-7(9(14)15)13-10(16)12-4-6-2-3-8(11)18-6/h2-3,7H,4-5H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid?
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid has a molecular weight of 292.74 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81082349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).