(2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one

C15H23N3O — CID 61155959

IUPAC(2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C15H23N3O/c1-3-11(2)14(16)15(19)18-10-4-5-13(18)12-6-8-17-9-7-12/h6-9,11,13-14H,3-5,10,16H2,1-2H3/t11-,13?,14-/m0/s1
InChIKeyLROZUGNCXKCKJX-UFPXDFCQSA-N
MW261.37 g/mol
LogP2.12
Rot. Bonds4

About (2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one

(2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one (PubChem CID 61155959) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
PubChem CID61155959
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C15H23N3O/c1-3-11(2)14(16)15(19)18-10-4-5-13(18)12-6-8-17-9-7-12/h6-9,11,13-14H,3-5,10,16H2,1-2H3/t11-,13?,14-/m0/s1
InChIKeyLROZUGNCXKCKJX-UFPXDFCQSA-N
XLogP2.12
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 43579561
2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 60938999
N,N-diethyl-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 110871633
(2S,3S)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-3-methylpentan-1-one
CID 102726137
benzyl N-[(2S)-1-oxo-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-2-yl]carbamate
CID 44756126
(2S)-2-(3,4-difluorophenoxy)-1-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]propan-1-one
CID 94820113
4-oxo-4-(2-pyridin-4-ylpyrrolidin-1-yl)butanoic acid
CID 43578440
(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091
(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 91416761
2-propan-2-yloxy-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
CID 95234107
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of (2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one (CID 61155959) is (2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CCCC1c1ccncc1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is LROZUGNCXKCKJX-UFPXDFCQSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-11(2)14(16)15(19)18-10-4-5-13(18)12-6-8-17-9-7-12/h6-9,11,13-14H,3-5,10,16H2,1-2H3/t11-,13?,14-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one?
(2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-1-(2-pyridin-4-ylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 61155959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).