2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid

C10H12ClNO4 — CID 106683293

IUPAC2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1ccoc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO4/c1-5(2)7(10(14)15)12-9(13)6-3-4-16-8(6)11/h3-5,7H,1-2H3,(H,12,13)(H,14,15)
InChIKeyOFHWDLIJKIHUJO-UHFFFAOYSA-N
MW245.66 g/mol
LogP1.77
Rot. Bonds4

About 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid

2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 106683293) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID106683293
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1ccoc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO4/c1-5(2)7(10(14)15)12-9(13)6-3-4-16-8(6)11/h3-5,7H,1-2H3,(H,12,13)(H,14,15)
InChIKeyOFHWDLIJKIHUJO-UHFFFAOYSA-N
XLogP1.77
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoic acid
CID 106683406
(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106851080
2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106688386
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate
CID 106686124
2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
CID 106683349
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 120513273
2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 103628563
(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 114036881
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
CID 106832394
(2R)-2-[(2-chloro-4-methylbenzoyl)amino]-3-methylbutanoic acid
CID 106860616
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 43185169
2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106683604

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid (CID 106683293) is 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid is CC(C)C(NC(=O)c1ccoc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is OFHWDLIJKIHUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-5(2)7(10(14)15)12-9(13)6-3-4-16-8(6)11/h3-5,7H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid?
2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 245.66 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 106683293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).