1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid

C11H18N2O3 — CID 61157679

IUPAC1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(N)(C(=O)N1CCCC1C(=O)O)C1CC1
InChIInChI=1S/C11H18N2O3/c1-11(12,7-4-5-7)10(16)13-6-2-3-8(13)9(14)15/h7-8H,2-6,12H2,1H3,(H,14,15)
InChIKeyJQSKDZUAVSDDHH-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.19
Rot. Bonds3

About 1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid

1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 61157679) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID61157679
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(N)(C(=O)N1CCCC1C(=O)O)C1CC1
InChIInChI=1S/C11H18N2O3/c1-11(12,7-4-5-7)10(16)13-6-2-3-8(13)9(14)15/h7-8H,2-6,12H2,1H3,(H,14,15)
InChIKeyJQSKDZUAVSDDHH-UHFFFAOYSA-N
XLogP0.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
(2S)-1-(3-amino-2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
CID 115426587
2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 60866949
(2R)-1-(2-methyl-2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
CID 78955972
(2S)-1-(2,2-dimethylpropanoyl)azetidine-2-carboxylic acid
CID 130184716
(2S)-1-[(2S)-2-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoyl]pyrrolidine-2-carboxylic acid
CID 22792316
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62478863
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156
1-(2,2-dimethylbutanoyl)azepane-2-carboxylic acid
CID 64559553
2-amino-2-cyclopropyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053178

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid (CID 61157679) is 1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid is CC(N)(C(=O)N1CCCC1C(=O)O)C1CC1.
What is the InChIKey of 1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JQSKDZUAVSDDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(12,7-4-5-7)10(16)13-6-2-3-8(13)9(14)15/h7-8H,2-6,12H2,1H3,(H,14,15).
What are the key properties of 1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid?
1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61157679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).