1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid

C12H22N2O3 — CID 114278530

IUPAC1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid
SMILESCCC[C@@H](N)C(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C12H22N2O3/c1-3-4-10(13)11(15)14-6-5-9(12(16)17)8(2)7-14/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t8?,9?,10-/m1/s1
InChIKeyNMMKHMYLROAQCU-UDNWOFFPSA-N
MW242.32 g/mol
LogP0.68
Rot. Bonds4

About 1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid

1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid (PubChem CID 114278530) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid
PubChem CID114278530
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid
SMILESCCC[C@@H](N)C(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C12H22N2O3/c1-3-4-10(13)11(15)14-6-5-9(12(16)17)8(2)7-14/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t8?,9?,10-/m1/s1
InChIKeyNMMKHMYLROAQCU-UDNWOFFPSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pentan-1-one
CID 114678311
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 112624987
3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
CID 103870649
4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
CID 107569483
1-butanoyl-3-methylpiperidine-4-carboxylic acid
CID 20606403
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopentan-1-one
CID 43650387
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628
2-amino-1-[3-(2-methylpropyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119322626
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid (CID 114278530) is 1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid is CCC[C@@H](N)C(=O)N1CCC(C(=O)O)C(C)C1.
What is the InChIKey of 1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid?
The InChIKey is NMMKHMYLROAQCU-UDNWOFFPSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-4-10(13)11(15)14-6-5-9(12(16)17)8(2)7-14/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t8?,9?,10-/m1/s1.
What are the key properties of 1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid?
1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114278530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).