cycloheptyl (2R)-2-amino-4-methylpentanoate

C13H25NO2 — CID 78976122

IUPACcycloheptyl (2R)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@@H](N)C(=O)OC1CCCCCC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-12(14)13(15)16-11-7-5-3-4-6-8-11/h10-12H,3-9,14H2,1-2H3/t12-/m1/s1
InChIKeyXVLSSANFNAAYQN-GFCCVEGCSA-N
MW227.35 g/mol
LogP2.63
Rot. Bonds4

About cycloheptyl (2R)-2-amino-4-methylpentanoate

cycloheptyl (2R)-2-amino-4-methylpentanoate (PubChem CID 78976122) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is cycloheptyl (2R)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Namecycloheptyl (2R)-2-amino-4-methylpentanoate
PubChem CID78976122
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namecycloheptyl (2R)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@@H](N)C(=O)OC1CCCCCC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-12(14)13(15)16-11-7-5-3-4-6-8-11/h10-12H,3-9,14H2,1-2H3/t12-/m1/s1
InChIKeyXVLSSANFNAAYQN-GFCCVEGCSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylcyclohexyl) 2-amino-4-methylpentanoate
CID 61279653
piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride
CID 173188799
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cyclohexyl 2,4-diamino-4-oxobutanoate
CID 22005850
cyclopentyl 2-amino-3-hydroxypropanoate
CID 61279213
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
dicyclohexyl 2-aminobutanedioate chloride
CID 53312802
cyclopentyl 2-aminopentanoate
CID 61278203
cyclopentyl 2-aminobutanoate;molecular hydrogen
CID 143574438
cyclopentyl (2S)-2-amino-3-methoxypropanoate
CID 122538889
oxetan-3-yl (2S)-2-amino-4-methylpentanoate
CID 102606734

Frequently Asked Questions

What is the IUPAC name of cycloheptyl (2R)-2-amino-4-methylpentanoate?
The IUPAC name of cycloheptyl (2R)-2-amino-4-methylpentanoate (CID 78976122) is cycloheptyl (2R)-2-amino-4-methylpentanoate.
What is the SMILES notation for cycloheptyl (2R)-2-amino-4-methylpentanoate?
The canonical SMILES for cycloheptyl (2R)-2-amino-4-methylpentanoate is CC(C)C[C@@H](N)C(=O)OC1CCCCCC1.
What is the InChIKey of cycloheptyl (2R)-2-amino-4-methylpentanoate?
The InChIKey is XVLSSANFNAAYQN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)9-12(14)13(15)16-11-7-5-3-4-6-8-11/h10-12H,3-9,14H2,1-2H3/t12-/m1/s1.
What are the key properties of cycloheptyl (2R)-2-amino-4-methylpentanoate?
cycloheptyl (2R)-2-amino-4-methylpentanoate has a molecular weight of 227.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl (2R)-2-amino-4-methylpentanoate is sourced from PubChem (CID 78976122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).