(2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid

C9H20N2O2 — CID 174848789

IUPAC(2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid
SMILESCC(C)C(CCN)C[C@H](N)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-6(2)7(3-4-10)5-8(11)9(12)13/h6-8H,3-5,10-11H2,1-2H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyZQJBTGHNBWUTMD-MQWKRIRWSA-N
MW188.27 g/mol
LogP0.41
Rot. Bonds6

About (2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid

(2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid (PubChem CID 174848789) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid
PubChem CID174848789
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid
SMILESCC(C)C(CCN)C[C@H](N)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-6(2)7(3-4-10)5-8(11)9(12)13/h6-8H,3-5,10-11H2,1-2H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyZQJBTGHNBWUTMD-MQWKRIRWSA-N
XLogP0.41
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diaminobutanoic acid
CID 158725018
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
bis(2-amino-4-methylpentanoic acid);bis(2,5-diaminopentanoic acid)
CID 173251323
2-amino-4-hydroxypentanoic acid
CID 14021586
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
(2S)-2-amino-4-fluoro-5-methylhexanoic acid
CID 45082488
(2S)-2-amino-4-deuterio-4-methylpentanoic acid
CID 71309041
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid?
The IUPAC name of (2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid (CID 174848789) is (2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid is CC(C)C(CCN)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid?
The InChIKey is ZQJBTGHNBWUTMD-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-6(2)7(3-4-10)5-8(11)9(12)13/h6-8H,3-5,10-11H2,1-2H3,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid?
(2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(2-aminoethyl)-5-methylhexanoic acid is sourced from PubChem (CID 174848789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).