(2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid

C9H16N2O3 — CID 170157861

IUPAC(2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(=O)N1C[C@H](N)C[C@@H]1C(=O)O
InChIInChI=1S/C9H16N2O3/c1-5(2)8(12)11-4-6(10)3-7(11)9(13)14/h5-7H,3-4,10H2,1-2H3,(H,13,14)/t6-,7-/m1/s1
InChIKeySLHYLVPRIMTWJQ-RNFRBKRXSA-N
MW200.24 g/mol
LogP-0.34
Rot. Bonds2

About (2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 170157861) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID170157861
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(=O)N1C[C@H](N)C[C@@H]1C(=O)O
InChIInChI=1S/C9H16N2O3/c1-5(2)8(12)11-4-6(10)3-7(11)9(13)14/h5-7H,3-4,10H2,1-2H3,(H,13,14)/t6-,7-/m1/s1
InChIKeySLHYLVPRIMTWJQ-RNFRBKRXSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 143148082
(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
CID 59097211
1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159404
(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 22822683
1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158430
(2S,4R)-1-[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 175987353
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158610
(2S,4R)-1-(4-carboxy-2-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 70609607
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113353486
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103929460
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 168776357
methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 112632548

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid (CID 170157861) is (2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid is CC(C)C(=O)N1C[C@H](N)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SLHYLVPRIMTWJQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5(2)8(12)11-4-6(10)3-7(11)9(13)14/h5-7H,3-4,10H2,1-2H3,(H,13,14)/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-amino-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 170157861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).