(2S,6S)-6-amino-2-methylheptanoic acid

C8H17NO2 — CID 93493350

IUPAC(2S,6S)-6-amino-2-methylheptanoic acid
SMILESC[C@H](N)CCC[C@H](C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(8(10)11)4-3-5-7(2)9/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyATSLSWOIVSIEJW-BQBZGAKWSA-N
MW159.23 g/mol
LogP1.22
Rot. Bonds5

About (2S,6S)-6-amino-2-methylheptanoic acid

(2S,6S)-6-amino-2-methylheptanoic acid (PubChem CID 93493350) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S,6S)-6-amino-2-methylheptanoic acid.

Molecular Properties

Compound Name(2S,6S)-6-amino-2-methylheptanoic acid
PubChem CID93493350
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S,6S)-6-amino-2-methylheptanoic acid
SMILESC[C@H](N)CCC[C@H](C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(8(10)11)4-3-5-7(2)9/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyATSLSWOIVSIEJW-BQBZGAKWSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-aminobutanoylamino)-2-methylheptanoic acid
CID 65286233
calcium;hydride;2-methylhexanoic acid
CID 173227921
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(2R,6R)-2,6-dimethyloctanoic acid
CID 100977919
2,9-dimethyldecanoic acid
CID 22251838
2,11-dimethyldodecanoic acid
CID 22251841
6-amino-2-methyl-N-prop-2-ynylheptanamide
CID 65292646
8-amino-2-methyl-8-oxooctanoic acid
CID 57306810
5-amino-2-(methylamino)hexanoic acid
CID 139342913
6,6-dimethoxy-2-methylhexanoic acid
CID 22887849
10-amino-6-methylundecan-5-one
CID 116574155
4-hydroxy-2-methylbutanoic acid;hydrochloride
CID 90219221

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-amino-2-methylheptanoic acid?
The IUPAC name of (2S,6S)-6-amino-2-methylheptanoic acid (CID 93493350) is (2S,6S)-6-amino-2-methylheptanoic acid.
What is the SMILES notation for (2S,6S)-6-amino-2-methylheptanoic acid?
The canonical SMILES for (2S,6S)-6-amino-2-methylheptanoic acid is C[C@H](N)CCC[C@H](C)C(=O)O.
What is the InChIKey of (2S,6S)-6-amino-2-methylheptanoic acid?
The InChIKey is ATSLSWOIVSIEJW-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(8(10)11)4-3-5-7(2)9/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (2S,6S)-6-amino-2-methylheptanoic acid?
(2S,6S)-6-amino-2-methylheptanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-amino-2-methylheptanoic acid is sourced from PubChem (CID 93493350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).