5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid

C13H24N2O4 — CID 104597036

IUPAC5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)C1(C)CCCCN1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(7-3-4-8-14-13)12(18)15-10(11(16)17)6-5-9-19-2/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIYRKLFGFYGCPAV-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.51
Rot. Bonds7

About 5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid

5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid (PubChem CID 104597036) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
PubChem CID104597036
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)C1(C)CCCCN1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(7-3-4-8-14-13)12(18)15-10(11(16)17)6-5-9-19-2/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIYRKLFGFYGCPAV-UHFFFAOYSA-N
XLogP0.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.51
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

(4S)-5-methoxy-4-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoic acid
CID 68193325
(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]piperidine-2-carboxylic acid
CID 90137482
2-[5-(Methoxycarbonylamino)-2,2-dimethyl-6-oxopiperidin-1-yl]propanoic acid
CID 123950933
(4R)-4-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 130272533
2-Acetamido-5-(piperazine-1-carbonyloxy)pentanoic acid
CID 154940077
(2S)-2-methyl-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
CID 157029144
5-methoxy-4-methyl-4-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]-5-oxopentanoic acid
CID 166756334
(2S)-4-methyl-2-[[(2S)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid
CID 169278433
4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]amino]butanoic acid
CID 174440441
(2S)-2-[[(2S)-2-amino-6-(tert-butylamino)hexanoyl]amino]pentanedioic acid
CID 175982624
(2S)-2-[[(2S)-2-amino-5-methylhexanoyl]amino]pentanedioic acid
CID 177753663
(2S)-2-[[(2S)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoyl]amino]pentanedioic acid
CID 177755704

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid (CID 104597036) is 5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid is COCCCC(NC(=O)C1(C)CCCCN1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid?
The InChIKey is IYRKLFGFYGCPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(7-3-4-8-14-13)12(18)15-10(11(16)17)6-5-9-19-2/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid?
5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 104597036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).