(2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid

C11H20N2O4 — CID 170339024

IUPAC(2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)COC(=O)[C@@H]1C[C@H](N)CN1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)6-17-9(14)8-4-7(12)5-13(8)10(15)16/h7-8H,4-6,12H2,1-3H3,(H,15,16)/t7-,8-/m0/s1
InChIKeyAIQYIWCEXIEHMS-YUMQZZPRSA-N
MW244.29 g/mol
LogP0.66
Rot. Bonds2

About (2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid

(2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid (PubChem CID 170339024) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid
PubChem CID170339024
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)COC(=O)[C@@H]1C[C@H](N)CN1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)6-17-9(14)8-4-7(12)5-13(8)10(15)16/h7-8H,4-6,12H2,1-3H3,(H,15,16)/t7-,8-/m0/s1
InChIKeyAIQYIWCEXIEHMS-YUMQZZPRSA-N
XLogP0.66
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid
CID 68849519
1-O-tert-butyl 2-O-methyl (2R,4R)-4-aminopyrrolidine-1,2-dicarboxylate
CID 7128407
ethyl 4-amino-1-methylpyrrolidine-2-carboxylate
CID 20763173
(2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid
CID 154462534
methyl 4-amino-1-benzoylpyrrolidine-2-carboxylate;hydrochloride
CID 75088456
4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 143148082
(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 138731797
tert-butyl (2S,4S)-4-amino-2-carbamoylpyrrolidine-1-carboxylate
CID 21308807
(2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766680
1-O-tert-butyl 2-O-ethyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 12709318
4-(2,4-difluorophenyl)-2-ethoxycarbonylpyrrolidine-1-carboxylic acid
CID 134368116
2,2-dimethylpropyl 1-prop-2-enoylpyrrolidine-2-carboxylate
CID 14282278

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid (CID 170339024) is (2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid is CC(C)(C)COC(=O)[C@@H]1C[C@H](N)CN1C(=O)O.
What is the InChIKey of (2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid?
The InChIKey is AIQYIWCEXIEHMS-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)6-17-9(14)8-4-7(12)5-13(8)10(15)16/h7-8H,4-6,12H2,1-3H3,(H,15,16)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid?
(2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 170339024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).