(2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide

C16H21N3O2 — CID 56710973

IUPAC(2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H21N3O2/c1-18-14(20)13-9-12(17)10-19(13)15(21)16(7-8-16)11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyOOWGZLIKYDWYGT-STQMWFEESA-N
MW287.36 g/mol
LogP0.39
Rot. Bonds3

About (2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 56710973) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID56710973
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H21N3O2/c1-18-14(20)13-9-12(17)10-19(13)15(21)16(7-8-16)11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyOOWGZLIKYDWYGT-STQMWFEESA-N
XLogP0.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide
CID 70708310
(2S,4S)-4-amino-N-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56707392
(2S,4S)-N-cyclopropyl-4-phenoxy-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110198593
(2S,4R)-4-amino-N-methyl-1-[2-(4-methylbenzoyl)benzoyl]pyrrolidine-2-carboxamide
CID 56717984
(2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 56701446
(2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56720955
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
(2S,4S)-4-amino-1-(1-benzyl-5-methyltriazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 56702860
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
4-benzyl-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-methylpiperazine-2-carboxamide
CID 132779506
(2S,4R)-4-amino-N-methyl-1-(1,3,7-trimethylindole-2-carbonyl)pyrrolidine-2-carboxamide
CID 56718530

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide (CID 56710973) is (2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of (2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is OOWGZLIKYDWYGT-STQMWFEESA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-14(20)13-9-12(17)10-19(13)15(21)16(7-8-16)11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3,(H,18,20)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56710973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).