(2R)-2-amino-5-methylhexanoic acid

C7H15NO2 — CID 40537121

IUPAC(2R)-2-amino-5-methylhexanoic acid
SMILESCC(C)CC[C@@H](N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyFMUMEWVNYMUECA-ZCFIWIBFSA-N
MW145.20 g/mol
LogP0.83
Rot. Bonds4

About (2R)-2-amino-5-methylhexanoic acid

(2R)-2-amino-5-methylhexanoic acid (PubChem CID 40537121) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2R)-2-amino-5-methylhexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-methylhexanoic acid
PubChem CID40537121
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2R)-2-amino-5-methylhexanoic acid
SMILESCC(C)CC[C@@H](N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyFMUMEWVNYMUECA-ZCFIWIBFSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
2-amino-21-methyldocosanoic acid
CID 10926747
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
CID 63028227
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2R)-2-amino(311C)pentanoic acid
CID 55291456
2-amino-4-(4-methylpentylamino)butanoic acid
CID 115241308
(2S)-2-amino-4-(4-methylpentylsulfanyl)butanoic acid
CID 134212604
2,6-diaminoheptanedioic acid
CID 865

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-methylhexanoic acid?
The IUPAC name of (2R)-2-amino-5-methylhexanoic acid (CID 40537121) is (2R)-2-amino-5-methylhexanoic acid.
What is the SMILES notation for (2R)-2-amino-5-methylhexanoic acid?
The canonical SMILES for (2R)-2-amino-5-methylhexanoic acid is CC(C)CC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-methylhexanoic acid?
The InChIKey is FMUMEWVNYMUECA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-5-methylhexanoic acid?
(2R)-2-amino-5-methylhexanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-methylhexanoic acid is sourced from PubChem (CID 40537121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).