1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid

C11H18N2O3 — CID 115450787

IUPAC1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(CC1CCNC1)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c14-9(5-8-1-4-12-6-8)13-7-11(2-3-11)10(15)16/h8,12H,1-7H2,(H,13,14)(H,15,16)
InChIKeyXPJIFPVNACXFQA-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.03
Rot. Bonds5

About 1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450787) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450787
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(CC1CCNC1)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c14-9(5-8-1-4-12-6-8)13-7-11(2-3-11)10(15)16/h8,12H,1-7H2,(H,13,14)(H,15,16)
InChIKeyXPJIFPVNACXFQA-UHFFFAOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433603
N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 81130731
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 154911412
1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 113311227
N-[(1-methylcyclohexyl)methyl]-2-piperidin-4-ylacetamide
CID 113267305
2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
CID 79845652
1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436411
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
2-(azetidin-3-yl)-N-[(1-ethylcyclopropyl)methyl]acetamide
CID 103810817
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
CID 154903662
N-(5-hydroxy-2,2-dimethylpentyl)-2-pyrrolidin-3-ylacetamide
CID 106148292
2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271886

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115450787) is 1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid is O=C(CC1CCNC1)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XPJIFPVNACXFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-9(5-8-1-4-12-6-8)13-7-11(2-3-11)10(15)16/h8,12H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).