N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide

C15H22N2O — CID 98726634

IUPACN-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-3-15(18)16-14-9-10-17(11-14)12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,16,18)/t12-,14+/m1/s1
InChIKeyRNAROLDWUKTJRO-OCCSQVGLSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds4

About N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide

N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide (PubChem CID 98726634) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
PubChem CID98726634
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-3-15(18)16-14-9-10-17(11-14)12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,16,18)/t12-,14+/m1/s1
InChIKeyRNAROLDWUKTJRO-OCCSQVGLSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976
2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98726631
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid
CID 122039894
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-[1-(1-iodoethyl)pyrrolidin-3-yl]propanamide
CID 146427409
3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 51091908

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide (CID 98726634) is N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide is CCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The InChIKey is RNAROLDWUKTJRO-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-15(18)16-14-9-10-17(11-14)12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,16,18)/t12-,14+/m1/s1.
What are the key properties of N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide has a molecular weight of 246.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 98726634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).