(2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid

C14H21NO4 — CID 120614519

IUPAC(2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cc(C)c(CC)o1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-4-6-7-10(14(17)18)15-13(16)12-8-9(3)11(5-2)19-12/h8,10H,4-7H2,1-3H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyURAHKTLZFKJKHN-JTQLQIEISA-N
MW267.32 g/mol
LogP2.52
Rot. Bonds7

About (2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid

(2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid (PubChem CID 120614519) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid
PubChem CID120614519
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cc(C)c(CC)o1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-4-6-7-10(14(17)18)15-13(16)12-8-9(3)11(5-2)19-12/h8,10H,4-7H2,1-3H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyURAHKTLZFKJKHN-JTQLQIEISA-N
XLogP2.52
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]butanoic acid
CID 120523298
(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid
CID 120614689
(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]hexanoic acid
CID 120615590
(2S)-2-[(4,5-dimethoxy-2-methylbenzoyl)amino]hexanoic acid
CID 120614513
2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43469771
(2S)-2-[(3-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031782
(2S)-2-[3-(4-methylphenyl)propanoylamino]hexanoic acid
CID 107143935
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 43469733
(2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 120615362
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide
CID 99785478

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid (CID 120614519) is (2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1cc(C)c(CC)o1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid?
The InChIKey is URAHKTLZFKJKHN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-6-7-10(14(17)18)15-13(16)12-8-9(3)11(5-2)19-12/h8,10H,4-7H2,1-3H3,(H,15,16)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid?
(2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 120614519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).