2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid

C12H22N2O2 — CID 63925019

IUPAC2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
SMILESCC1(C)CCCN1CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O2/c1-11(2)6-3-7-14(11)8-12(13,10(15)16)9-4-5-9/h9H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyWHRGYKPSRIMEMN-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.05
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid

2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid (PubChem CID 63925019) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
PubChem CID63925019
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
SMILESCC1(C)CCCN1CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O2/c1-11(2)6-3-7-14(11)8-12(13,10(15)16)9-4-5-9/h9H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyWHRGYKPSRIMEMN-UHFFFAOYSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-2-cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63910149
2-Amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63910543
2-Amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63911529
2-Amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63911716
2-Amino-2-cyclopropyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid
CID 65530426
2-Amino-2-cyclopropyl-3-[2,2-difluoroethyl(methyl)amino]propanoic acid
CID 116317126
(2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid
CID 123824337
(2R)-1,3,3,4,4,5-hexadeuterio-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid
CID 141620899
2-Amino-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylhexanoic acid
CID 55128191
2-Amino-2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]hexanoic acid
CID 55162254
2-Cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid
CID 60994231
2-Cyclopropyl-2-[2-(dimethylamino)ethylamino]propanoic acid
CID 61002157

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid (CID 63925019) is 2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid is CC1(C)CCCN1CC(N)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid?
The InChIKey is WHRGYKPSRIMEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2)6-3-7-14(11)8-12(13,10(15)16)9-4-5-9/h9H,3-8,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid?
2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid has a molecular weight of 226.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 63925019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).