(2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid

C20H32N2O4 — CID 69474599

IUPAC(2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)N[C@H](C(=O)O)C(C)C)c1=O
InChIInChI=1S/C20H32N2O4/c1-6-9-11-22-16(10-7-2)14(8-3)12-15(19(22)24)18(23)21-17(13(4)5)20(25)26/h12-13,17H,6-11H2,1-5H3,(H,21,23)(H,25,26)/t17-/m0/s1
InChIKeyPYZUVLCWYOXATJ-KRWDZBQOSA-N
MW364.49 g/mol
LogP3.00
Rot. Bonds10

About (2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid

(2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 69474599) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID69474599
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name(2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)N[C@H](C(=O)O)C(C)C)c1=O
InChIInChI=1S/C20H32N2O4/c1-6-9-11-22-16(10-7-2)14(8-3)12-15(19(22)24)18(23)21-17(13(4)5)20(25)26/h12-13,17H,6-11H2,1-5H3,(H,21,23)(H,25,26)/t17-/m0/s1
InChIKeyPYZUVLCWYOXATJ-KRWDZBQOSA-N
XLogP3.00
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid (CID 69474599) is (2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid is CCCCn1c(CCC)c(CC)cc(C(=O)N[C@H](C(=O)O)C(C)C)c1=O.
What is the InChIKey of (2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is PYZUVLCWYOXATJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-6-9-11-22-16(10-7-2)14(8-3)12-15(19(22)24)18(23)21-17(13(4)5)20(25)26/h12-13,17H,6-11H2,1-5H3,(H,21,23)(H,25,26)/t17-/m0/s1.
What are the key properties of (2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid?
(2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 364.49 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 69474599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).