2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid

C12H23NO3 — CID 106675996

IUPAC2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid
SMILESCOC(C)(C)CC(NC1CCCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2,16-3)8-10(11(14)15)13-9-6-4-5-7-9/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyTYBUZKIJWVIMRA-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.79
Rot. Bonds6

About 2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid

2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid (PubChem CID 106675996) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid
PubChem CID106675996
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid
SMILESCOC(C)(C)CC(NC1CCCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2,16-3)8-10(11(14)15)13-9-6-4-5-7-9/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyTYBUZKIJWVIMRA-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid
CID 106675998
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
2-(cyclopentylamino)butanoic acid
CID 60998249
2-(cyclohexylamino)-5-methoxypentanoic acid
CID 82932734
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
(2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
CID 68551435
3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65066289
2-(cyclopentylamino)pent-4-enoic acid
CID 82933340
4-O-tert-butyl 1-O-methyl 2-(cyclopentylamino)butanedioate
CID 66586456
4-O-tert-butyl 1-O-methyl (2R)-2-(cyclopentylamino)butanedioate
CID 66586454
2-(cyclohexylamino)heptanoic acid
CID 60998800
2-(cyclopentylamino)-3-methoxypropanamide
CID 115924491

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid?
The IUPAC name of 2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid (CID 106675996) is 2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid?
The canonical SMILES for 2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid is COC(C)(C)CC(NC1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid?
The InChIKey is TYBUZKIJWVIMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,16-3)8-10(11(14)15)13-9-6-4-5-7-9/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid?
2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid is sourced from PubChem (CID 106675996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).