propan-2-yl (2S)-2-aminohexanoate

C9H19NO2 — CID 87300314

IUPACpropan-2-yl (2S)-2-aminohexanoate
SMILESCCCC[C@H](N)C(=O)OC(C)C
InChIInChI=1S/C9H19NO2/c1-4-5-6-8(10)9(11)12-7(2)3/h7-8H,4-6,10H2,1-3H3/t8-/m0/s1
InChIKeyVIWSPMCLHUDILU-QMMMGPOBSA-N
MW173.26 g/mol
LogP1.46
Rot. Bonds5

About propan-2-yl (2S)-2-aminohexanoate

propan-2-yl (2S)-2-aminohexanoate (PubChem CID 87300314) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is propan-2-yl (2S)-2-aminohexanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-aminohexanoate
PubChem CID87300314
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namepropan-2-yl (2S)-2-aminohexanoate
SMILESCCCC[C@H](N)C(=O)OC(C)C
InChIInChI=1S/C9H19NO2/c1-4-5-6-8(10)9(11)12-7(2)3/h7-8H,4-6,10H2,1-3H3/t8-/m0/s1
InChIKeyVIWSPMCLHUDILU-QMMMGPOBSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl L-lysinate dihydrochloride
CID 117778
O-Methyl-L-norleucine
CID 7018840
Methyl Aminolaurate
CID 11579518
Methyl 2-Aminodecanoate
CID 14482566
Ethyl 6-aminohexanoate
CID 406972
Methyl 2,6-diaminohexanoate
CID 102467
Methyl 2-aminohexanoate
CID 559296
Propan-2-yl 7-aminoheptanoate
CID 24629
Ethyl L-lysinate dihydrochloride
CID 107468
methyl (2S)-2-aminohexanoate hydrochloride
CID 14039065
Clavaminol F
CID 44424877
epsilon-Aminocaproic acid hexyl ester
CID 3081943

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-aminohexanoate?
The IUPAC name of propan-2-yl (2S)-2-aminohexanoate (CID 87300314) is propan-2-yl (2S)-2-aminohexanoate.
What is the SMILES notation for propan-2-yl (2S)-2-aminohexanoate?
The canonical SMILES for propan-2-yl (2S)-2-aminohexanoate is CCCC[C@H](N)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S)-2-aminohexanoate?
The InChIKey is VIWSPMCLHUDILU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-6-8(10)9(11)12-7(2)3/h7-8H,4-6,10H2,1-3H3/t8-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-aminohexanoate?
propan-2-yl (2S)-2-aminohexanoate has a molecular weight of 173.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-aminohexanoate is sourced from PubChem (CID 87300314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).