3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid

C15H22N2O3 — CID 107320746

IUPAC3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)Oc1cccc(CN2CCC(N)(C(=O)O)C2)c1
InChIInChI=1S/C15H22N2O3/c1-11(2)20-13-5-3-4-12(8-13)9-17-7-6-15(16,10-17)14(18)19/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,18,19)
InChIKeyZZVCTERBHVIEGU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.46
Rot. Bonds5

About 3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid

3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 107320746) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID107320746
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)Oc1cccc(CN2CCC(N)(C(=O)O)C2)c1
InChIInChI=1S/C15H22N2O3/c1-11(2)20-13-5-3-4-12(8-13)9-17-7-6-15(16,10-17)14(18)19/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,18,19)
InChIKeyZZVCTERBHVIEGU-UHFFFAOYSA-N
XLogP1.46
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[[3-(difluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 107321157
2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 56903739
3-amino-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56716705
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
3-amino-1-[(3-chloro-4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321061
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
3-amino-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321188
4-N'-(3-fluorophenyl)-1-[(3-propan-2-yloxyphenyl)methyl]piperidine-4,4-diamine
CID 70327411
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
(3S)-3-amino-1-[(3,5-dichlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 95206566
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 107320803

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid (CID 107320746) is 3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid is CC(C)Oc1cccc(CN2CCC(N)(C(=O)O)C2)c1.
What is the InChIKey of 3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZZVCTERBHVIEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)20-13-5-3-4-12(8-13)9-17-7-6-15(16,10-17)14(18)19/h3-5,8,11H,6-7,9-10,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107320746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).