(2R)-2-amino-3-tert-butylbutanedioic acid;methane

C9H19NO4 — CID 87326653

IUPAC(2R)-2-amino-3-tert-butylbutanedioic acid;methane
SMILESC.CC(C)(C)C(C(=O)O)[C@@H](N)C(=O)O
InChIInChI=1S/C8H15NO4.CH4/c1-8(2,3)4(6(10)11)5(9)7(12)13;/h4-5H,9H2,1-3H3,(H,10,11)(H,12,13);1H4/t4?,5-;/m1./s1
InChIKeyWZTAHYZEPSZNMX-VVNPLDQHSA-N
MW205.25 g/mol
LogP0.78
Rot. Bonds3

About (2R)-2-amino-3-tert-butylbutanedioic acid;methane

(2R)-2-amino-3-tert-butylbutanedioic acid;methane (PubChem CID 87326653) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (2R)-2-amino-3-tert-butylbutanedioic acid;methane.

Molecular Properties

Compound Name(2R)-2-amino-3-tert-butylbutanedioic acid;methane
PubChem CID87326653
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(2R)-2-amino-3-tert-butylbutanedioic acid;methane
SMILESC.CC(C)(C)C(C(=O)O)[C@@H](N)C(=O)O
InChIInChI=1S/C8H15NO4.CH4/c1-8(2,3)4(6(10)11)5(9)7(12)13;/h4-5H,9H2,1-3H3,(H,10,11)(H,12,13);1H4/t4?,5-;/m1./s1
InChIKeyWZTAHYZEPSZNMX-VVNPLDQHSA-N
XLogP0.78
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid
CID 91435919
(2S)-2-amino-3-methoxycarbonyl-4,4-dimethylpentanoic acid;hydrochloride
CID 174430219
2,3-diamino-4,4-dimethylpentanoic acid
CID 116942173
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
3-amino-3-methyl-2-propan-2-ylbutanoic acid
CID 45122188
(2R)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 170905684
(2S)-2-amino-3-methylbutanoic acid;2-methylpropane-2-sulfinamide
CID 146627108

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-tert-butylbutanedioic acid;methane?
The IUPAC name of (2R)-2-amino-3-tert-butylbutanedioic acid;methane (CID 87326653) is (2R)-2-amino-3-tert-butylbutanedioic acid;methane.
What is the SMILES notation for (2R)-2-amino-3-tert-butylbutanedioic acid;methane?
The canonical SMILES for (2R)-2-amino-3-tert-butylbutanedioic acid;methane is C.CC(C)(C)C(C(=O)O)[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-tert-butylbutanedioic acid;methane?
The InChIKey is WZTAHYZEPSZNMX-VVNPLDQHSA-N. The full InChI is InChI=1S/C8H15NO4.CH4/c1-8(2,3)4(6(10)11)5(9)7(12)13;/h4-5H,9H2,1-3H3,(H,10,11)(H,12,13);1H4/t4?,5-;/m1./s1.
What are the key properties of (2R)-2-amino-3-tert-butylbutanedioic acid;methane?
(2R)-2-amino-3-tert-butylbutanedioic acid;methane has a molecular weight of 205.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-tert-butylbutanedioic acid;methane is sourced from PubChem (CID 87326653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).