(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid

C13H28N2O4 — CID 18635634

IUPAC(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
SMILESCC(C)(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO2.C6H13NO2/c1-7(2,3)4-5(8)6(9)10;1-4(2)3-5(7)6(8)9/h5H,4,8H2,1-3H3,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9)/t2*5-/m00/s1
InChIKeyCVDCCLWKYKTMBB-ZLELNMGESA-N
MW276.38 g/mol
LogP1.28
Rot. Bonds5

About (2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid

(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid (PubChem CID 18635634) has the molecular formula C13H28N2O4 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
PubChem CID18635634
Molecular FormulaC13H28N2O4
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
SMILESCC(C)(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO2.C6H13NO2/c1-7(2,3)4-5(8)6(9)10;1-4(2)3-5(7)6(8)9/h5H,4,8H2,1-3H3,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9)/t2*5-/m00/s1
InChIKeyCVDCCLWKYKTMBB-ZLELNMGESA-N
XLogP1.28
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid?
The IUPAC name of (2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid (CID 18635634) is (2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid is CC(C)(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid?
The InChIKey is CVDCCLWKYKTMBB-ZLELNMGESA-N. The full InChI is InChI=1S/C7H15NO2.C6H13NO2/c1-7(2,3)4-5(8)6(9)10;1-4(2)3-5(7)6(8)9/h5H,4,8H2,1-3H3,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9)/t2*5-/m00/s1.
What are the key properties of (2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid?
(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid has a molecular weight of 276.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid is sourced from PubChem (CID 18635634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).