2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid

C11H25N3O6 — CID 18783681

IUPAC2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.CCC(C)C(N)C(=O)O.NCC(=O)O
InChIInChI=1S/C6H13NO2.C3H7NO2.C2H5NO2/c1-3-4(2)5(7)6(8)9;1-2(4)3(5)6;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)
InChIKeyQIOONWSTJNSHCS-UHFFFAOYSA-N
MW295.34 g/mol
LogP-1.11
Rot. Bonds5

About 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid

2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid (PubChem CID 18783681) has the molecular formula C11H25N3O6 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid
PubChem CID18783681
Molecular FormulaC11H25N3O6
Molecular Weight295.34 g/mol
Exact Mass295.17
IUPAC Name2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.CCC(C)C(N)C(=O)O.NCC(=O)O
InChIInChI=1S/C6H13NO2.C3H7NO2.C2H5NO2/c1-3-4(2)5(7)6(8)9;1-2(4)3(5)6;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)
InChIKeyQIOONWSTJNSHCS-UHFFFAOYSA-N
XLogP-1.11
TPSA189.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.34
LogP ≤ 5-1.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190
(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
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
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-aminopentanedioic acid
CID 174800417
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid?
The IUPAC name of 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid (CID 18783681) is 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid.
What is the SMILES notation for 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid?
The canonical SMILES for 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid is CC(N)C(=O)O.CCC(C)C(N)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid?
The InChIKey is QIOONWSTJNSHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C3H7NO2.C2H5NO2/c1-3-4(2)5(7)6(8)9;1-2(4)3(5)6;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid?
2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid has a molecular weight of 295.34 g/mol, XLogP of -1.11, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid is sourced from PubChem (CID 18783681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).