methyl (3R)-3-(aminomethyl)hexanoate

C8H17NO2 — CID 87371995

IUPACmethyl (3R)-3-(aminomethyl)hexanoate
SMILESCCC[C@@H](CN)CC(=O)OC
InChIInChI=1S/C8H17NO2/c1-3-4-7(6-9)5-8(10)11-2/h7H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKeyWANMCLCPYGQCEC-SSDOTTSWSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds5

About methyl (3R)-3-(aminomethyl)hexanoate

methyl (3R)-3-(aminomethyl)hexanoate (PubChem CID 87371995) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl (3R)-3-(aminomethyl)hexanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(aminomethyl)hexanoate
PubChem CID87371995
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl (3R)-3-(aminomethyl)hexanoate
SMILESCCC[C@@H](CN)CC(=O)OC
InChIInChI=1S/C8H17NO2/c1-3-4-7(6-9)5-8(10)11-2/h7H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKeyWANMCLCPYGQCEC-SSDOTTSWSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(aminomethyl)pentanoate
CID 66099134
ethane;methyl 3-(aminomethyl)-5-methylhexanoate
CID 168947065
methyl 3-ethyldecanoate
CID 154021576
2-methylpentyl (3S)-3-(aminomethyl)-5-methylhexanoate
CID 103284167
methyl 2-(aminomethyl)pentanoate
CID 65220226
methyl 3-(hexan-3-ylamino)butanoate
CID 62117257
methyl 3-hydroxy-4-methylheptanoate
CID 14280456
methyl 4-methoxy-3-(methoxymethyl)butanoate
CID 170299340
dimethyl (2R)-2-aminobutanedioate
CID 6994535
dimethyl 3-(methoxymethyl)pentanedioate
CID 141473714
dimethyl 3-(ethoxymethyl)pentanedioate
CID 141473703
methyl 5-amino-3-hydroxypentanoate
CID 71369778

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(aminomethyl)hexanoate?
The IUPAC name of methyl (3R)-3-(aminomethyl)hexanoate (CID 87371995) is methyl (3R)-3-(aminomethyl)hexanoate.
What is the SMILES notation for methyl (3R)-3-(aminomethyl)hexanoate?
The canonical SMILES for methyl (3R)-3-(aminomethyl)hexanoate is CCC[C@@H](CN)CC(=O)OC.
What is the InChIKey of methyl (3R)-3-(aminomethyl)hexanoate?
The InChIKey is WANMCLCPYGQCEC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-4-7(6-9)5-8(10)11-2/h7H,3-6,9H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl (3R)-3-(aminomethyl)hexanoate?
methyl (3R)-3-(aminomethyl)hexanoate has a molecular weight of 159.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(aminomethyl)hexanoate is sourced from PubChem (CID 87371995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).