(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide

C16H18N2O3 — CID 124860159

IUPAC(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide
SMILESC[C@H](C(=O)N[C@H]1C[C@H]1c1ccccc1)N1C(=O)CCC1=O
InChIInChI=1S/C16H18N2O3/c1-10(18-14(19)7-8-15(18)20)16(21)17-13-9-12(13)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,17,21)/t10-,12+,13+/m1/s1
InChIKeyXZQHPJXWUXWQLJ-WXHSDQCUSA-N
MW286.33 g/mol
LogP1.20
Rot. Bonds4

About (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide

(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide (PubChem CID 124860159) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide
PubChem CID124860159
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide
SMILESC[C@H](C(=O)N[C@H]1C[C@H]1c1ccccc1)N1C(=O)CCC1=O
InChIInChI=1S/C16H18N2O3/c1-10(18-14(19)7-8-15(18)20)16(21)17-13-9-12(13)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,17,21)/t10-,12+,13+/m1/s1
InChIKeyXZQHPJXWUXWQLJ-WXHSDQCUSA-N
XLogP1.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
1-methyl-6-oxo-N-(2-phenylcyclopropyl)-4,5-dihydropyridazine-3-carboxamide
CID 75462215
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
(2S)-2-amino-2-phenyl-N-(2-phenylcyclopropyl)acetamide
CID 104897747
2-amino-3-methyl-N-(2-phenylcyclopropyl)pentanamide;hydrochloride
CID 119709457
3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide
CID 107027061
2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
CID 131862373
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
CID 112617050
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide?
The IUPAC name of (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide (CID 124860159) is (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide.
What is the SMILES notation for (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide?
The canonical SMILES for (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide is C[C@H](C(=O)N[C@H]1C[C@H]1c1ccccc1)N1C(=O)CCC1=O.
What is the InChIKey of (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide?
The InChIKey is XZQHPJXWUXWQLJ-WXHSDQCUSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(18-14(19)7-8-15(18)20)16(21)17-13-9-12(13)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,17,21)/t10-,12+,13+/m1/s1.
What are the key properties of (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide?
(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide has a molecular weight of 286.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide is sourced from PubChem (CID 124860159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).