(2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid

C15H26N2O5 — CID 167806234

IUPAC(2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid
SMILESCNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)CCCOC(C)C)C1
InChIInChI=1S/C15H26N2O5/c1-10(2)22-8-4-5-13(18)17-9-11(14(19)16-3)6-7-12(17)15(20)21/h10-12H,4-9H2,1-3H3,(H,16,19)(H,20,21)/t11-,12-/m0/s1
InChIKeyGKKQQROOOZBSKF-RYUDHWBXSA-N
MW314.38 g/mol
LogP0.63
Rot. Bonds7

About (2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid

(2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid (PubChem CID 167806234) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid
PubChem CID167806234
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name(2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid
SMILESCNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)CCCOC(C)C)C1
InChIInChI=1S/C15H26N2O5/c1-10(2)22-8-4-5-13(18)17-9-11(14(19)16-3)6-7-12(17)15(20)21/h10-12H,4-9H2,1-3H3,(H,16,19)(H,20,21)/t11-,12-/m0/s1
InChIKeyGKKQQROOOZBSKF-RYUDHWBXSA-N
XLogP0.63
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
(2S,5S)-1-(4-cyclobutylbenzoyl)-5-(methylcarbamoyl)piperidine-2-carboxylic acid
CID 154767464
(2S,5S)-5-(methylcarbamoyl)-1-[2-(4-methylcyclohexylidene)acetyl]piperidine-2-carboxylic acid
CID 154767454
(2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid
CID 167763035
(2S,5S)-1-(3-acetylsulfanylpropanoyl)piperidine-2,5-dicarboxylic acid
CID 21149852
1-(2-propan-2-yloxyethylcarbamoyl)azepane-2-carboxylic acid
CID 113450642
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 59148061
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
CID 54871434
1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
CID 165108720
6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid
CID 122113639
(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119366095

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid (CID 167806234) is (2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid is CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)CCCOC(C)C)C1.
What is the InChIKey of (2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid?
The InChIKey is GKKQQROOOZBSKF-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-10(2)22-8-4-5-13(18)17-9-11(14(19)16-3)6-7-12(17)15(20)21/h10-12H,4-9H2,1-3H3,(H,16,19)(H,20,21)/t11-,12-/m0/s1.
What are the key properties of (2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid?
(2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(methylcarbamoyl)-1-(4-propan-2-yloxybutanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 167806234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).