2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid

C12H22N2O2 — CID 106616231

IUPAC2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C12H22N2O2/c1-9(12(15)16)14(7-10-4-5-10)8-11-3-2-6-13-11/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyLBMLLVWPGWMPAN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.92
Rot. Bonds6

About 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid

2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid (PubChem CID 106616231) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
PubChem CID106616231
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C12H22N2O2/c1-9(12(15)16)14(7-10-4-5-10)8-11-3-2-6-13-11/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyLBMLLVWPGWMPAN-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 112743402
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol
CID 106616555
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608303
2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 106631912
N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106604476
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616352
2-cyclopropyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626607
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
CID 106618297

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid (CID 106616231) is 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid is CC(C(=O)O)N(CC1CC1)CC1CCCN1.
What is the InChIKey of 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The InChIKey is LBMLLVWPGWMPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(12(15)16)14(7-10-4-5-10)8-11-3-2-6-13-11/h9-11,13H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid has a molecular weight of 226.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 106616231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).