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

C13H27N3O8 — CID 174800417

IUPAC2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid
SMILESCCC(C)C(N)C(=O)O.NC(CCC(=O)O)C(=O)O.NCC(=O)O
InChIInChI=1S/C6H13NO2.C5H9NO4.C2H5NO2/c1-3-4(2)5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10);1,3H2,(H,4,5)
InChIKeyQUDBBZLUMPNIRF-UHFFFAOYSA-N
MW353.37 g/mol
LogP-1.26
Rot. Bonds8

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

2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid (PubChem CID 174800417) has the molecular formula C13H27N3O8 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid
PubChem CID174800417
Molecular FormulaC13H27N3O8
Molecular Weight353.37 g/mol
Exact Mass353.18
IUPAC Name2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid
SMILESCCC(C)C(N)C(=O)O.NC(CCC(=O)O)C(=O)O.NCC(=O)O
InChIInChI=1S/C6H13NO2.C5H9NO4.C2H5NO2/c1-3-4(2)5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10);1,3H2,(H,4,5)
InChIKeyQUDBBZLUMPNIRF-UHFFFAOYSA-N
XLogP-1.26
TPSA227.26 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.37
LogP ≤ 5-1.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopentanedioic acid
CID 87257204
2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190
bis(2-amino-3-methylpentanoic acid);2-amino-4-methylsulfanylbutanoic acid;bis(2-aminopentanedioic acid)
CID 175149891
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid
CID 22856238
2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid
CID 18783681
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
4-amino-5-(2-amino-3-methylpentanoyl)peroxy-5-oxopentanoic acid
CID 156963467
2-amino-3-methylbutanedioic acid;2-aminopentanedioic acid
CID 122610243
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid?
The IUPAC name of 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid (CID 174800417) is 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid.
What is the SMILES notation for 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid?
The canonical SMILES for 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid is CCC(C)C(N)C(=O)O.NC(CCC(=O)O)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid?
The InChIKey is QUDBBZLUMPNIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C5H9NO4.C2H5NO2/c1-3-4(2)5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid?
2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid has a molecular weight of 353.37 g/mol, XLogP of -1.26, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopentanedioic acid is sourced from PubChem (CID 174800417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).