methyl 2-amino-3-methylheptanoate;hydrochloride

C9H20ClNO2 — CID 175195300

IUPACmethyl 2-amino-3-methylheptanoate;hydrochloride
SMILESCCCCC(C)C(N)C(=O)OC.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-4-5-6-7(2)8(10)9(11)12-3;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyRTPXRVJAIIDTNB-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.73
Rot. Bonds5

About methyl 2-amino-3-methylheptanoate;hydrochloride

methyl 2-amino-3-methylheptanoate;hydrochloride (PubChem CID 175195300) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is methyl 2-amino-3-methylheptanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-methylheptanoate;hydrochloride
PubChem CID175195300
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Namemethyl 2-amino-3-methylheptanoate;hydrochloride
SMILESCCCCC(C)C(N)C(=O)OC.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-4-5-6-7(2)8(10)9(11)12-3;/h7-8H,4-6,10H2,1-3H3;1H
InChIKeyRTPXRVJAIIDTNB-UHFFFAOYSA-N
XLogP1.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-methyloctanoate
CID 143581439
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
methyl (2S)-2-aminohexanoate
CID 7018840
dimethyl 2-hexan-2-ylbutanedioate
CID 6430902
ethyl 2-methylhexanoate
CID 12714009
methyl (2S)-6-amino-2-methylhexanoate;methyl (2S)-2-methylheptanoate
CID 161175791
methyl (2S)-2-(heptan-3-ylamino)propanoate
CID 63944927
ethyl (2R,3S)-2,3-dimethylheptanoate
CID 12933610
propyl 2-methylhexanoate
CID 15464658
methyl 2,6,10-trimethyltridecanoate
CID 560276

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-methylheptanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-methylheptanoate;hydrochloride (CID 175195300) is methyl 2-amino-3-methylheptanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-methylheptanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-methylheptanoate;hydrochloride is CCCCC(C)C(N)C(=O)OC.Cl.
What is the InChIKey of methyl 2-amino-3-methylheptanoate;hydrochloride?
The InChIKey is RTPXRVJAIIDTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-4-5-6-7(2)8(10)9(11)12-3;/h7-8H,4-6,10H2,1-3H3;1H.
What are the key properties of methyl 2-amino-3-methylheptanoate;hydrochloride?
methyl 2-amino-3-methylheptanoate;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-methylheptanoate;hydrochloride is sourced from PubChem (CID 175195300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).