2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid

C13H24N2O5 — CID 81084930

IUPAC2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N1CCC(CO)CC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-20-8-2-3-11(12(17)18)14-13(19)15-6-4-10(9-16)5-7-15/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyVHNRIEXNPHOVHR-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.28
Rot. Bonds7

About 2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid

2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid (PubChem CID 81084930) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
PubChem CID81084930
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N1CCC(CO)CC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-20-8-2-3-11(12(17)18)14-13(19)15-6-4-10(9-16)5-7-15/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyVHNRIEXNPHOVHR-UHFFFAOYSA-N
XLogP0.28
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826001
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81082451
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
(2R)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 107830532
(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 61196853
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-4-methylsulfonylbutanoic acid
CID 61196473
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
CID 106836809
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
CID 63979418

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid (CID 81084930) is 2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid is COCCCC(NC(=O)N1CCC(CO)CC1)C(=O)O.
What is the InChIKey of 2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid?
The InChIKey is VHNRIEXNPHOVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-20-8-2-3-11(12(17)18)14-13(19)15-6-4-10(9-16)5-7-15/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid?
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81084930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).