N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C16H24N2O2 — CID 107863282

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N[C@@H](CO)c2ccccc2)CCNC1
InChIInChI=1S/C16H24N2O2/c1-12(2)16(8-9-17-11-16)15(20)18-14(10-19)13-6-4-3-5-7-13/h3-7,12,14,17,19H,8-11H2,1-2H3,(H,18,20)/t14-,16?/m0/s1
InChIKeyDNRFUNGZJGNYAY-LBAUFKAWSA-N
MW276.38 g/mol
LogP1.47
Rot. Bonds5

About N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 107863282) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID107863282
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N[C@@H](CO)c2ccccc2)CCNC1
InChIInChI=1S/C16H24N2O2/c1-12(2)16(8-9-17-11-16)15(20)18-14(10-19)13-6-4-3-5-7-13/h3-7,12,14,17,19H,8-11H2,1-2H3,(H,18,20)/t14-,16?/m0/s1
InChIKeyDNRFUNGZJGNYAY-LBAUFKAWSA-N
XLogP1.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979455
N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979821
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980234
N-(4-hydroxy-3-methylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981266
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propylpiperidine-3-carboxamide
CID 107863291
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980005
4-hydroxy-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 106980345
N-[(1S)-2-hydroxy-1-phenylethyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 110001954
3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
CID 63139520
(2R)-4-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980494

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 107863282) is N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)N[C@@H](CO)c2ccccc2)CCNC1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is DNRFUNGZJGNYAY-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)16(8-9-17-11-16)15(20)18-14(10-19)13-6-4-3-5-7-13/h3-7,12,14,17,19H,8-11H2,1-2H3,(H,18,20)/t14-,16?/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 107863282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).