(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide

C19H29N2O+ — CID 6935034

IUPAC(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide
SMILESC[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCC1
InChIInChI=1S/C19H28N2O/c1-16(21-13-7-8-14-21)18(22)20-15-19(11-5-6-12-19)17-9-3-2-4-10-17/h2-4,9-10,16H,5-8,11-15H2,1H3,(H,20,22)/p+1/t16-/m0/s1
InChIKeyORNKBXGIUVRKEO-INIZCTEOSA-O
MW301.45 g/mol
LogP1.68
Rot. Bonds5

About (2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide

(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide (PubChem CID 6935034) has the molecular formula C19H29N2O+ and a molecular weight of 301.45 g/mol. Its IUPAC name is (2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide
PubChem CID6935034
Molecular FormulaC19H29N2O+
Molecular Weight301.45 g/mol
Exact Mass301.23
IUPAC Name(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide
SMILESC[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCC1
InChIInChI=1S/C19H28N2O/c1-16(21-13-7-8-14-21)18(22)20-15-19(11-5-6-12-19)17-9-3-2-4-10-17/h2-4,9-10,16H,5-8,11-15H2,1H3,(H,20,22)/p+1/t16-/m0/s1
InChIKeyORNKBXGIUVRKEO-INIZCTEOSA-O
XLogP1.68
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ium-1-ylpropanamide chloride
CID 44655127
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491
N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide
CID 7270600
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
2-morpholin-4-yl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110446352
2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
CID 122120195
2-amino-2-methyl-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480032
(2S)-2-(benzenesulfonamido)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]propanamide
CID 55941118
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
2-(diethylamino)-2-phenyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56538633

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide?
The IUPAC name of (2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide (CID 6935034) is (2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide?
The canonical SMILES for (2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide is C[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCC1.
What is the InChIKey of (2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide?
The InChIKey is ORNKBXGIUVRKEO-INIZCTEOSA-O. The full InChI is InChI=1S/C19H28N2O/c1-16(21-13-7-8-14-21)18(22)20-15-19(11-5-6-12-19)17-9-3-2-4-10-17/h2-4,9-10,16H,5-8,11-15H2,1H3,(H,20,22)/p+1/t16-/m0/s1.
What are the key properties of (2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide?
(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide has a molecular weight of 301.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide is sourced from PubChem (CID 6935034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).