2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid

C12H24N2O6 — CID 174901428

IUPAC2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid
SMILESCC(O)CC(=O)NCC(=O)O.CCC(C)C(N)C(=O)O
InChIInChI=1S/C6H11NO4.C6H13NO2/c1-4(8)2-5(9)7-3-6(10)11;1-3-4(2)5(7)6(8)9/h4,8H,2-3H2,1H3,(H,7,9)(H,10,11);4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyYDBPDSNFGZTYBT-UHFFFAOYSA-N
MW292.33 g/mol
LogP-0.60
Rot. Bonds7

About 2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid

2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid (PubChem CID 174901428) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid.

Molecular Properties

Compound Name2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid
PubChem CID174901428
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Name2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid
SMILESCC(O)CC(=O)NCC(=O)O.CCC(C)C(N)C(=O)O
InChIInChI=1S/C6H11NO4.C6H13NO2/c1-4(8)2-5(9)7-3-6(10)11;1-3-4(2)5(7)6(8)9/h4,8H,2-3H2,1H3,(H,7,9)(H,10,11);4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyYDBPDSNFGZTYBT-UHFFFAOYSA-N
XLogP-0.60
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;azane
CID 87185080
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190
lithium;(2S,3S)-2-amino-3-methylpentanoic acid;hydride
CID 173147542
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375
2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid
CID 18783681

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid?
The IUPAC name of 2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid (CID 174901428) is 2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid.
What is the SMILES notation for 2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid?
The canonical SMILES for 2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid is CC(O)CC(=O)NCC(=O)O.CCC(C)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid?
The InChIKey is YDBPDSNFGZTYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.C6H13NO2/c1-4(8)2-5(9)7-3-6(10)11;1-3-4(2)5(7)6(8)9/h4,8H,2-3H2,1H3,(H,7,9)(H,10,11);4-5H,3,7H2,1-2H3,(H,8,9).
What are the key properties of 2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid?
2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid has a molecular weight of 292.33 g/mol, XLogP of -0.60, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylpentanoic acid;2-(3-hydroxybutanoylamino)acetic acid is sourced from PubChem (CID 174901428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).