methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate

C12H23NO2 — CID 11275909

IUPACmethyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate
SMILESCC[C@H](C)C(NC1CCCC1)C(=O)OC
InChIInChI=1S/C12H23NO2/c1-4-9(2)11(12(14)15-3)13-10-7-5-6-8-10/h9-11,13H,4-8H2,1-3H3/t9-,11?/m0/s1
InChIKeyLTIGKNUJYYWSBL-FTNKSUMCSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds5

About methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate

methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate (PubChem CID 11275909) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate
PubChem CID11275909
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate
SMILESCC[C@H](C)C(NC1CCCC1)C(=O)OC
InChIInChI=1S/C12H23NO2/c1-4-9(2)11(12(14)15-3)13-10-7-5-6-8-10/h9-11,13H,4-8H2,1-3H3/t9-,11?/m0/s1
InChIKeyLTIGKNUJYYWSBL-FTNKSUMCSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate?
The IUPAC name of methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate (CID 11275909) is methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate.
What is the SMILES notation for methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate?
The canonical SMILES for methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate is CC[C@H](C)C(NC1CCCC1)C(=O)OC.
What is the InChIKey of methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate?
The InChIKey is LTIGKNUJYYWSBL-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-9(2)11(12(14)15-3)13-10-7-5-6-8-10/h9-11,13H,4-8H2,1-3H3/t9-,11?/m0/s1.
What are the key properties of methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate?
methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-(cyclopentylamino)-3-methylpentanoate is sourced from PubChem (CID 11275909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).