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

C10H12ClNO4 — CID 106683349

IUPAC2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccoc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO4/c1-2-3-7(10(14)15)12-9(13)6-4-5-16-8(6)11/h4-5,7H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyMXVUYLYXCRWRAB-UHFFFAOYSA-N
MW245.66 g/mol
LogP1.92
Rot. Bonds5

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

2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid (PubChem CID 106683349) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is 2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
PubChem CID106683349
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccoc1Cl)C(=O)O
InChIInChI=1S/C10H12ClNO4/c1-2-3-7(10(14)15)12-9(13)6-4-5-16-8(6)11/h4-5,7H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyMXVUYLYXCRWRAB-UHFFFAOYSA-N
XLogP1.92
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide
CID 106684884
2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106683604
2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106683293
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907
(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 106683292
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723
(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
CID 107563826
(2S)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114037285
2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114036486

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid (CID 106683349) is 2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1ccoc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid?
The InChIKey is MXVUYLYXCRWRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-2-3-7(10(14)15)12-9(13)6-4-5-16-8(6)11/h4-5,7H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid?
2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid has a molecular weight of 245.66 g/mol, XLogP of 1.92, 5 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]pentanoic acid is sourced from PubChem (CID 106683349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).