2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)

C23H50N4O8 — CID 175377800

IUPAC2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)
SMILESCC(C)C(N)C(=O)O.CC(C)CC(N)C(=O)O.CC(C)CC(N)C(=O)O.CCC(C)C(N)C(=O)O
InChIInChI=1S/3C6H13NO2.C5H11NO2/c2*1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;1-3(2)4(6)5(7)8/h3*4-5H,3,7H2,1-2H3,(H,8,9);3-4H,6H2,1-2H3,(H,7,8)
InChIKeyMZLIFISWMCKTNI-UHFFFAOYSA-N
MW510.67 g/mol
LogP1.39
Rot. Bonds11

About 2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)

2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid) (PubChem CID 175377800) has the molecular formula C23H50N4O8 and a molecular weight of 510.67 g/mol. Its IUPAC name is 2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid).

Molecular Properties

Compound Name2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)
PubChem CID175377800
Molecular FormulaC23H50N4O8
Molecular Weight510.67 g/mol
Exact Mass510.36
IUPAC Name2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)
SMILESCC(C)C(N)C(=O)O.CC(C)CC(N)C(=O)O.CC(C)CC(N)C(=O)O.CCC(C)C(N)C(=O)O
InChIInChI=1S/3C6H13NO2.C5H11NO2/c2*1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;1-3(2)4(6)5(7)8/h3*4-5H,3,7H2,1-2H3,(H,8,9);3-4H,6H2,1-2H3,(H,7,8)
InChIKeyMZLIFISWMCKTNI-UHFFFAOYSA-N
XLogP1.39
TPSA253.28 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.67
LogP ≤ 51.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;2-amino-4-methylpentanoic acid;2-amino-4-methylsulfanylbutanoic acid;2-aminopropanoic acid
CID 173214713
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70259627
tetrakis(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 23551203
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
bis((2S,3S)-2-amino-3-methylpentanoic acid);(2S)-2,4-diamino-4-oxobutanoic acid
CID 87666554

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)?
The IUPAC name of 2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid) (CID 175377800) is 2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid).
What is the SMILES notation for 2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)?
The canonical SMILES for 2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid) is CC(C)C(N)C(=O)O.CC(C)CC(N)C(=O)O.CC(C)CC(N)C(=O)O.CCC(C)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)?
The InChIKey is MZLIFISWMCKTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H13NO2.C5H11NO2/c2*1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;1-3(2)4(6)5(7)8/h3*4-5H,3,7H2,1-2H3,(H,8,9);3-4H,6H2,1-2H3,(H,7,8).
What are the key properties of 2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)?
2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid) has a molecular weight of 510.67 g/mol, XLogP of 1.39, 11 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid) is sourced from PubChem (CID 175377800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).