(2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid

C10H18N2O3 — CID 115426587

IUPAC(2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(CN)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-10(2,6-11)9(15)12-5-3-4-7(12)8(13)14/h7H,3-6,11H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyPNMLAXJTPSJYRT-ZETCQYMHSA-N
MW214.26 g/mol
LogP0.05
Rot. Bonds3

About (2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 115426587) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID115426587
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(CN)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-10(2,6-11)9(15)12-5-3-4-7(12)8(13)14/h7H,3-6,11H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyPNMLAXJTPSJYRT-ZETCQYMHSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylbutanoyl)azepane-2-carboxylic acid
CID 64559553
3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 115426376
1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid
CID 61157679
1-(2-methyl-2-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 82042127
(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)piperidine-2-carboxylic acid
CID 66263390
(2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
CID 78955972
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
3-amino-1-(2-ethylazepan-1-yl)-2,2-dimethylpropan-1-one
CID 104689401
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid (CID 115426587) is (2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid is CC(C)(CN)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PNMLAXJTPSJYRT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,6-11)9(15)12-5-3-4-7(12)8(13)14/h7H,3-6,11H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115426587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).