(3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide

C18H25N3O3 — CID 124591800

IUPAC(3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCOC1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C18H25N3O3/c1-13(19-18(23)14-7-10-24-12-14)17(22)20-15-5-4-6-16(11-15)21-8-2-3-9-21/h4-6,11,13-14H,2-3,7-10,12H2,1H3,(H,19,23)(H,20,22)/t13-,14-/m0/s1
InChIKeyZHPDHUKABWZGIO-KBPBESRZSA-N
MW331.42 g/mol
LogP1.77
Rot. Bonds5

About (3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide

(3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide (PubChem CID 124591800) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide
PubChem CID124591800
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCOC1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C18H25N3O3/c1-13(19-18(23)14-7-10-24-12-14)17(22)20-15-5-4-6-16(11-15)21-8-2-3-9-21/h4-6,11,13-14H,2-3,7-10,12H2,1H3,(H,19,23)(H,20,22)/t13-,14-/m0/s1
InChIKeyZHPDHUKABWZGIO-KBPBESRZSA-N
XLogP1.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119872800
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431
2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide
CID 124591805
5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 124591808
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 119872791
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide
CID 94810981

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide (CID 124591800) is (3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide is C[C@H](NC(=O)[C@H]1CCOC1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of (3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide?
The InChIKey is ZHPDHUKABWZGIO-KBPBESRZSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(19-18(23)14-7-10-24-12-14)17(22)20-15-5-4-6-16(11-15)21-8-2-3-9-21/h4-6,11,13-14H,2-3,7-10,12H2,1H3,(H,19,23)(H,20,22)/t13-,14-/m0/s1.
What are the key properties of (3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide?
(3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 124591800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).