[4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate

C16H24N2O3 — CID 174681257

IUPAC[4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate
SMILESCOc1ccccc1C1NC(OC(=O)C(C)(C)C)CC1N
InChIInChI=1S/C16H24N2O3/c1-16(2,3)15(19)21-13-9-11(17)14(18-13)10-7-5-6-8-12(10)20-4/h5-8,11,13-14,18H,9,17H2,1-4H3
InChIKeyZBONVPMKSHJJFQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.97
Rot. Bonds3

About [4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate

[4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate (PubChem CID 174681257) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate
PubChem CID174681257
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate
SMILESCOc1ccccc1C1NC(OC(=O)C(C)(C)C)CC1N
InChIInChI=1S/C16H24N2O3/c1-16(2,3)15(19)21-13-9-11(17)14(18-13)10-7-5-6-8-12(10)20-4/h5-8,11,13-14,18H,9,17H2,1-4H3
InChIKeyZBONVPMKSHJJFQ-UHFFFAOYSA-N
XLogP1.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
4-(2-methoxyphenyl)piperidine
CID 544738
(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine
CID 129407373
tert-butyl (2S,3S)-3-amino-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate
CID 124670975
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
tert-butyl N-[2-(2-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 84815022
[(2R,3R,6R)-3-(2-methoxyphenyl)-6-pentyl-3,6-dihydro-2H-pyran-2-yl] 2,2-dimethylpropanoate
CID 102298614
methyl (2S,4R)-4-(2-methoxyphenyl)piperidine-2-carboxylate
CID 96530315
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
ethyl 3-tert-butyl-5-(2-methoxyphenyl)-4-nitropyrrolidine-2-carboxylate
CID 154016054
(5R)-5-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 94255380
N-[(1R,5S)-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
CID 46180132

Frequently Asked Questions

What is the IUPAC name of [4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate (CID 174681257) is [4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate is COc1ccccc1C1NC(OC(=O)C(C)(C)C)CC1N.
What is the InChIKey of [4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate?
The InChIKey is ZBONVPMKSHJJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)15(19)21-13-9-11(17)14(18-13)10-7-5-6-8-12(10)20-4/h5-8,11,13-14,18H,9,17H2,1-4H3.
What are the key properties of [4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate?
[4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate has a molecular weight of 292.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-5-(2-methoxyphenyl)pyrrolidin-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174681257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).