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

C13H24N2O4 — CID 103082201

IUPAC(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(OC)CC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-4-5-11(12(16)17)14-13(18)15-8-6-10(19-2)7-9-15/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/t11-/m0/s1
InChIKeyYKMRCPZQBAWPRS-NSHDSACASA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds6

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

(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid (PubChem CID 103082201) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
PubChem CID103082201
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(OC)CC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-4-5-11(12(16)17)14-13(18)15-8-6-10(19-2)7-9-15/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/t11-/m0/s1
InChIKeyYKMRCPZQBAWPRS-NSHDSACASA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145229
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
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61197467
(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710
2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 102962543
3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
CID 81084937
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid (CID 103082201) is (2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)N1CCC(OC)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is YKMRCPZQBAWPRS-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-4-5-11(12(16)17)14-13(18)15-8-6-10(19-2)7-9-15/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid?
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 103082201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).