3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid

C9H14N2O3 — CID 107323128

IUPAC3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)C2CC2)C1
InChIInChI=1S/C9H14N2O3/c10-9(8(13)14)3-4-11(5-9)7(12)6-1-2-6/h6H,1-5,10H2,(H,13,14)
InChIKeyRTDNFSVIFRTYSP-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.59
Rot. Bonds2

About 3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid

3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323128) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107323128
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)C2CC2)C1
InChIInChI=1S/C9H14N2O3/c10-9(8(13)14)3-4-11(5-9)7(12)6-1-2-6/h6H,1-5,10H2,(H,13,14)
InChIKeyRTDNFSVIFRTYSP-UHFFFAOYSA-N
XLogP-0.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 107323011
3-amino-1-(3,4-dihydro-2H-chromene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323430
(4-amino-4-methylpiperidin-1-yl)-cyclopropylmethanone;hydrochloride
CID 130809222
3-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323252
cyclopropyl-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)methanone
CID 165447364
1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
1-acetyl-4-aminopiperidine-4-carboxylic acid
CID 127018755
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
3-amino-1-(2,3-dihydro-1-benzothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323369
3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 107323806
3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 114032004

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid (CID 107323128) is 3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)C2CC2)C1.
What is the InChIKey of 3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RTDNFSVIFRTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c10-9(8(13)14)3-4-11(5-9)7(12)6-1-2-6/h6H,1-5,10H2,(H,13,14).
What are the key properties of 3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).