1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid

C11H16N2O2 — CID 62977158

IUPAC1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid
SMILESC#CCNC1(C(=O)O)CCN(C2CC2)C1
InChIInChI=1S/C11H16N2O2/c1-2-6-12-11(10(14)15)5-7-13(8-11)9-3-4-9/h1,9,12H,3-8H2,(H,14,15)
InChIKeyCXOLWGXEYWZWMT-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.10
Rot. Bonds4

About 1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid

1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid (PubChem CID 62977158) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid
PubChem CID62977158
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid
SMILESC#CCNC1(C(=O)O)CCN(C2CC2)C1
InChIInChI=1S/C11H16N2O2/c1-2-6-12-11(10(14)15)5-7-13(8-11)9-3-4-9/h1,9,12H,3-8H2,(H,14,15)
InChIKeyCXOLWGXEYWZWMT-UHFFFAOYSA-N
XLogP-0.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid
CID 62976763
1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid
CID 55141024
1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid
CID 62975481
methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate
CID 62977893
methyl 1-methyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylate
CID 62977159
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984747
methyl 1-phenyl-4-(prop-2-ynylamino)piperidine-4-carboxylate
CID 106820622
ethyl 3-anilino-1-cyclopropylpyrrolidine-3-carboxylate
CID 62976587
ethyl 1-cyclopropyl-3-(2-methylanilino)pyrrolidine-3-carboxylate
CID 62976962
3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine
CID 114416226

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid (CID 62977158) is 1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid is C#CCNC1(C(=O)O)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid?
The InChIKey is CXOLWGXEYWZWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-6-12-11(10(14)15)5-7-13(8-11)9-3-4-9/h1,9,12H,3-8H2,(H,14,15).
What are the key properties of 1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid?
1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 62977158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).