(3R)-3-amino-2,2,4,4-tetramethylpentanoic acid

C9H19NO2 — CID 50999000

IUPAC(3R)-3-amino-2,2,4,4-tetramethylpentanoic acid
SMILESCC(C)(C)[C@@H](N)C(C)(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-8(2,3)6(10)9(4,5)7(11)12/h6H,10H2,1-5H3,(H,11,12)/t6-/m1/s1
InChIKeyZGIKFJMCMHEHEJ-ZCFIWIBFSA-N
MW173.26 g/mol
LogP1.47
Rot. Bonds2

About (3R)-3-amino-2,2,4,4-tetramethylpentanoic acid

(3R)-3-amino-2,2,4,4-tetramethylpentanoic acid (PubChem CID 50999000) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3R)-3-amino-2,2,4,4-tetramethylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-2,2,4,4-tetramethylpentanoic acid
PubChem CID50999000
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3R)-3-amino-2,2,4,4-tetramethylpentanoic acid
SMILESCC(C)(C)[C@@H](N)C(C)(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-8(2,3)6(10)9(4,5)7(11)12/h6H,10H2,1-5H3,(H,11,12)/t6-/m1/s1
InChIKeyZGIKFJMCMHEHEJ-ZCFIWIBFSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-cyclopropyl-2,2-dimethylpropanoic acid
CID 55291796
4-amino-2,2,3-trimethyl-4-oxobutanoic acid
CID 91540382
(3S)-3-amino-3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 55292739
2,2-difluoro-4,4-dimethylpentan-3-amine
CID 84649526
(3R)-3-amino-2,2,4,4-tetramethylpentan-1-ol
CID 130714780
2,2-dimethyl-3-sulfanylbutanoic acid
CID 87558354
2,2,4-trimethyl-3-(methylamino)pentanoic acid
CID 116953180
3-(bromomethyl)-2,2,4,4-tetramethylpentanoic acid
CID 175215651
3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 84676780
2,3-diamino-4,4-dimethylpentanoic acid
CID 116942173
2,2-dimethylpropanoic acid
CID 87781698
dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
CID 105489493

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2,4,4-tetramethylpentanoic acid?
The IUPAC name of (3R)-3-amino-2,2,4,4-tetramethylpentanoic acid (CID 50999000) is (3R)-3-amino-2,2,4,4-tetramethylpentanoic acid.
What is the SMILES notation for (3R)-3-amino-2,2,4,4-tetramethylpentanoic acid?
The canonical SMILES for (3R)-3-amino-2,2,4,4-tetramethylpentanoic acid is CC(C)(C)[C@@H](N)C(C)(C)C(=O)O.
What is the InChIKey of (3R)-3-amino-2,2,4,4-tetramethylpentanoic acid?
The InChIKey is ZGIKFJMCMHEHEJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2,3)6(10)9(4,5)7(11)12/h6H,10H2,1-5H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (3R)-3-amino-2,2,4,4-tetramethylpentanoic acid?
(3R)-3-amino-2,2,4,4-tetramethylpentanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2,4,4-tetramethylpentanoic acid is sourced from PubChem (CID 50999000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).