(2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid

C14H31N3O4 — CID 20640242

IUPAC(2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid
SMILESCC(C)C[C@](C)(N)C(=O)O.C[C@](N)(CCCCN)C(=O)O
InChIInChI=1S/C7H16N2O2.C7H15NO2/c1-7(9,6(10)11)4-2-3-5-8;1-5(2)4-7(3,8)6(9)10/h2-5,8-9H2,1H3,(H,10,11);5H,4,8H2,1-3H3,(H,9,10)/t2*7-/m00/s1
InChIKeyCLPICHCQFCXGQA-VGMFFHCQSA-N
MW305.42 g/mol
LogP0.75
Rot. Bonds8

About (2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid

(2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid (PubChem CID 20640242) has the molecular formula C14H31N3O4 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid
PubChem CID20640242
Molecular FormulaC14H31N3O4
Molecular Weight305.42 g/mol
Exact Mass305.23
IUPAC Name(2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid
SMILESCC(C)C[C@](C)(N)C(=O)O.C[C@](N)(CCCCN)C(=O)O
InChIInChI=1S/C7H16N2O2.C7H15NO2/c1-7(9,6(10)11)4-2-3-5-8;1-5(2)4-7(3,8)6(9)10/h2-5,8-9H2,1H3,(H,10,11);5H,4,8H2,1-3H3,(H,9,10)/t2*7-/m00/s1
InChIKeyCLPICHCQFCXGQA-VGMFFHCQSA-N
XLogP0.75
TPSA152.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid?
The IUPAC name of (2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid (CID 20640242) is (2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid.
What is the SMILES notation for (2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid?
The canonical SMILES for (2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid is CC(C)C[C@](C)(N)C(=O)O.C[C@](N)(CCCCN)C(=O)O.
What is the InChIKey of (2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid?
The InChIKey is CLPICHCQFCXGQA-VGMFFHCQSA-N. The full InChI is InChI=1S/C7H16N2O2.C7H15NO2/c1-7(9,6(10)11)4-2-3-5-8;1-5(2)4-7(3,8)6(9)10/h2-5,8-9H2,1H3,(H,10,11);5H,4,8H2,1-3H3,(H,9,10)/t2*7-/m00/s1.
What are the key properties of (2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid?
(2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid has a molecular weight of 305.42 g/mol, XLogP of 0.75, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2,4-dimethylpentanoic acid;(2S)-2,6-diamino-2-methylhexanoic acid is sourced from PubChem (CID 20640242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).