2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid

C11H14ClNO5S — CID 67456065

IUPAC2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid
SMILESCOCC(COC)(NC(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C11H14ClNO5S/c1-17-5-11(6-18-2,10(15)16)13-9(14)7-3-4-8(12)19-7/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBSMBOVKNDITCBN-UHFFFAOYSA-N
MW307.75 g/mol
LogP1.25
Rot. Bonds7

About 2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid

2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid (PubChem CID 67456065) has the molecular formula C11H14ClNO5S and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid
PubChem CID67456065
Molecular FormulaC11H14ClNO5S
Molecular Weight307.75 g/mol
Exact Mass307.03
IUPAC Name2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid
SMILESCOCC(COC)(NC(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C11H14ClNO5S/c1-17-5-11(6-18-2,10(15)16)13-9(14)7-3-4-8(12)19-7/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBSMBOVKNDITCBN-UHFFFAOYSA-N
XLogP1.25
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid
CID 68637832
5-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 115730361
5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide
CID 64555417
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoate
CID 67455828
5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide
CID 103877510
5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
CID 64991724
methyl 3-(5-chlorothiophen-2-yl)-2,2-dimethyl-3-oxopropanoate
CID 116919231
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate
CID 4962746
methyl 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanylacetate
CID 43414169
ethyl N-[(5-chlorothiophene-2-carbonyl)amino]carbamate
CID 30948453

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid?
The IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid (CID 67456065) is 2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid.
What is the SMILES notation for 2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid?
The canonical SMILES for 2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid is COCC(COC)(NC(=O)c1ccc(Cl)s1)C(=O)O.
What is the InChIKey of 2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid?
The InChIKey is BSMBOVKNDITCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-17-5-11(6-18-2,10(15)16)13-9(14)7-3-4-8(12)19-7/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid?
2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid has a molecular weight of 307.75 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid is sourced from PubChem (CID 67456065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).