(3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide

C18H24N2O3 — CID 129400499

IUPAC(3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)C1
InChIInChI=1S/C18H24N2O3/c1-13(21)20-9-7-16(12-20)18(22)19-11-15-8-10-23-17(15)14-5-3-2-4-6-14/h2-6,15-17H,7-12H2,1H3,(H,19,22)/t15-,16-,17-/m0/s1
InChIKeyBGLUIJFPFRANMC-ULQDDVLXSA-N
MW316.40 g/mol
LogP1.75
Rot. Bonds4

About (3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide

(3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 129400499) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID129400499
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)C1
InChIInChI=1S/C18H24N2O3/c1-13(21)20-9-7-16(12-20)18(22)19-11-15-8-10-23-17(15)14-5-3-2-4-6-14/h2-6,15-17H,7-12H2,1H3,(H,19,22)/t15-,16-,17-/m0/s1
InChIKeyBGLUIJFPFRANMC-ULQDDVLXSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-ethylsulfonyl-N-[(2-phenyloxan-3-yl)methyl]piperidine-3-carboxamide
CID 47742934
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129328039
N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129004071
1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129331695
methyl 1-[N'-methyl-N-[(2-phenyloxan-3-yl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253811
N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 122139331
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate
CID 86769567
6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701779
3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide
CID 119741497

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide (CID 129400499) is (3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide is CC(=O)N1CC[C@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)C1.
What is the InChIKey of (3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is BGLUIJFPFRANMC-ULQDDVLXSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(21)20-9-7-16(12-20)18(22)19-11-15-8-10-23-17(15)14-5-3-2-4-6-14/h2-6,15-17H,7-12H2,1H3,(H,19,22)/t15-,16-,17-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide?
(3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 129400499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).