2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid

C12H23NO2 — CID 82933336

IUPAC2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC1CCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-3-12(4-2,11(14)15)9-13-10-7-5-6-8-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyMRFBBGYDZSNNNS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds6

About 2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid

2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid (PubChem CID 82933336) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid
PubChem CID82933336
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC1CCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-3-12(4-2,11(14)15)9-13-10-7-5-6-8-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyMRFBBGYDZSNNNS-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid (CID 82933336) is 2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid is CCC(CC)(CNC1CCCC1)C(=O)O.
What is the InChIKey of 2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid?
The InChIKey is MRFBBGYDZSNNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-12(4-2,11(14)15)9-13-10-7-5-6-8-10/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid?
2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylamino)methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 82933336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).