cyclopropylmethyl (2S)-2-aminopentanoate

C9H17NO2 — CID 107565685

IUPACcyclopropylmethyl (2S)-2-aminopentanoate
SMILESCCC[C@H](N)C(=O)OCC1CC1
InChIInChI=1S/C9H17NO2/c1-2-3-8(10)9(11)12-6-7-4-5-7/h7-8H,2-6,10H2,1H3/t8-/m0/s1
InChIKeyBRNQWLJIEAOERP-QMMMGPOBSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds5

About cyclopropylmethyl (2S)-2-aminopentanoate

cyclopropylmethyl (2S)-2-aminopentanoate (PubChem CID 107565685) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is cyclopropylmethyl (2S)-2-aminopentanoate.

Molecular Properties

Compound Namecyclopropylmethyl (2S)-2-aminopentanoate
PubChem CID107565685
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namecyclopropylmethyl (2S)-2-aminopentanoate
SMILESCCC[C@H](N)C(=O)OCC1CC1
InChIInChI=1S/C9H17NO2/c1-2-3-8(10)9(11)12-6-7-4-5-7/h7-8H,2-6,10H2,1H3/t8-/m0/s1
InChIKeyBRNQWLJIEAOERP-QMMMGPOBSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
cyclopropylmethyl 2-amino-4-hydroxybutanoate
CID 61243530
cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909688
cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate
CID 12993308
cyclopentylmethyl 2-aminobutanoate
CID 66322645
cyclopropylmethyl 2-methylhexanoate
CID 67151240
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393
cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 66322213
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide
CID 107570144
cyclopentyl 2-aminopentanoate
CID 61278203

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl (2S)-2-aminopentanoate?
The IUPAC name of cyclopropylmethyl (2S)-2-aminopentanoate (CID 107565685) is cyclopropylmethyl (2S)-2-aminopentanoate.
What is the SMILES notation for cyclopropylmethyl (2S)-2-aminopentanoate?
The canonical SMILES for cyclopropylmethyl (2S)-2-aminopentanoate is CCC[C@H](N)C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl (2S)-2-aminopentanoate?
The InChIKey is BRNQWLJIEAOERP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-8(10)9(11)12-6-7-4-5-7/h7-8H,2-6,10H2,1H3/t8-/m0/s1.
What are the key properties of cyclopropylmethyl (2S)-2-aminopentanoate?
cyclopropylmethyl (2S)-2-aminopentanoate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl (2S)-2-aminopentanoate is sourced from PubChem (CID 107565685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).