(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride

C8H18ClNO2 — CID 55254083

IUPAC(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride
SMILESCC[C@@H](C)[C@H](N)CCC(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-3-6(2)7(9)4-5-8(10)11;/h6-7H,3-5,9H2,1-2H3,(H,10,11);1H/t6-,7-;/m1./s1
InChIKeyFGYFBRJAZNTVAO-ZJLYAJKPSA-N
MW195.69 g/mol
LogP1.65
Rot. Bonds5

About (4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride

(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride (PubChem CID 55254083) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is (4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride.

Molecular Properties

Compound Name(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride
PubChem CID55254083
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride
SMILESCC[C@@H](C)[C@H](N)CCC(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-3-6(2)7(9)4-5-8(10)11;/h6-7H,3-5,9H2,1-2H3,(H,10,11);1H/t6-,7-;/m1./s1
InChIKeyFGYFBRJAZNTVAO-ZJLYAJKPSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-fluorohexanoic acid
CID 78098113
(2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid
CID 87257204
4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid
CID 156963467
4-amino-5-hydroxy-6-methylheptanoic acid
CID 91339915
4-aminopentanoic acid;ethane
CID 143436801
2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid
CID 174800417
4-bromo-5-butan-2-yloxy-5-oxopentanoic acid
CID 87355685
(3R,5R,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427142
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046
(3R,5S,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427143
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]pentanedioic acid
CID 7009625
(4R)-4-amino-5,5-difluoropentanoic acid
CID 51901753

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride?
The IUPAC name of (4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride (CID 55254083) is (4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride.
What is the SMILES notation for (4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride?
The canonical SMILES for (4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride is CC[C@@H](C)[C@H](N)CCC(=O)O.Cl.
What is the InChIKey of (4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride?
The InChIKey is FGYFBRJAZNTVAO-ZJLYAJKPSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-3-6(2)7(9)4-5-8(10)11;/h6-7H,3-5,9H2,1-2H3,(H,10,11);1H/t6-,7-;/m1./s1.
What are the key properties of (4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride?
(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride is sourced from PubChem (CID 55254083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).