3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid

C12H21NO2 — CID 65059247

IUPAC3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid
SMILESCC1CCCC1N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H21NO2/c1-9-3-2-4-11(9)13(10-5-6-10)8-7-12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyTXVZCBDOGKMUIX-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.11
Rot. Bonds5

About 3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid

3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid (PubChem CID 65059247) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid
PubChem CID65059247
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid
SMILESCC1CCCC1N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H21NO2/c1-9-3-2-4-11(9)13(10-5-6-10)8-7-12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyTXVZCBDOGKMUIX-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-(2,5-dimethylcyclohexyl)amino]propanoic acid
CID 65054451
3-[cyclopropyl-(2-methylthian-3-yl)amino]propanoic acid
CID 79952185
3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid
CID 65059053
3-[cyclopropyl-(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65087501
4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 65058593
3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid
CID 82326771
3-(4-methyl-N-(2-methylcyclopentyl)anilino)propanoic acid
CID 65059645
3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 55209464
3-[(2,6-dimethylcyclohexyl)carbamoyl-methylamino]propanoic acid
CID 122004955
3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
CID 65059244
3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175271
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid (CID 65059247) is 3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid is CC1CCCC1N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid?
The InChIKey is TXVZCBDOGKMUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-3-2-4-11(9)13(10-5-6-10)8-7-12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid?
3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid is sourced from PubChem (CID 65059247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).