2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid

C13H24N2O4 — CID 61199167

IUPAC2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCOC1CCN(C(=O)NC(CC(C)C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-9(2)8-11(12(16)17)14-13(18)15-6-4-10(19-3)5-7-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYYGFGAUGNMFSIU-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds5

About 2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid

2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 61199167) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID61199167
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCOC1CCN(C(=O)NC(CC(C)C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-9(2)8-11(12(16)17)14-13(18)15-6-4-10(19-3)5-7-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYYGFGAUGNMFSIU-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
CID 81084937
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62083485
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61197467
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
3-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61199165
(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid
CID 78976051

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid (CID 61199167) is 2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid is COC1CCN(C(=O)NC(CC(C)C)C(=O)O)CC1.
What is the InChIKey of 2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is YYGFGAUGNMFSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)8-11(12(16)17)14-13(18)15-6-4-10(19-3)5-7-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 61199167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).