2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid

C17H29N3O6 — CID 22323802

IUPAC2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
SMILESCC(C)CC(N)C(=O)O.NC(Cc1ccccc1)C(=O)O.NCC(=O)O
InChIInChI=1S/C9H11NO2.C6H13NO2.C2H5NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9;3-1-2(4)5/h1-5,8H,6,10H2,(H,11,12);4-5H,3,7H2,1-2H3,(H,8,9);1,3H2,(H,4,5)
InChIKeyXCDJMQRPMLFIHY-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.12
Rot. Bonds7

About 2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid

2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid (PubChem CID 22323802) has the molecular formula C17H29N3O6 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
PubChem CID22323802
Molecular FormulaC17H29N3O6
Molecular Weight371.43 g/mol
Exact Mass371.21
IUPAC Name2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
SMILESCC(C)CC(N)C(=O)O.NC(Cc1ccccc1)C(=O)O.NCC(=O)O
InChIInChI=1S/C9H11NO2.C6H13NO2.C2H5NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9;3-1-2(4)5/h1-5,8H,6,10H2,(H,11,12);4-5H,3,7H2,1-2H3,(H,8,9);1,3H2,(H,4,5)
InChIKeyXCDJMQRPMLFIHY-UHFFFAOYSA-N
XLogP0.12
TPSA189.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.43
LogP ≤ 50.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)
CID 67055229
2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)
CID 19809864
2-aminoacetic acid;2-amino-3-phenylpropanoic acid
CID 22149659
2-aminoacetic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 22820957
(2S)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 67608123
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-aminoacetic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 66894742
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid;2,4-diamino-4-oxobutanoic acid
CID 174159961
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
CID 175083689

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid?
The IUPAC name of 2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid (CID 22323802) is 2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid.
What is the SMILES notation for 2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid?
The canonical SMILES for 2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid is CC(C)CC(N)C(=O)O.NC(Cc1ccccc1)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid?
The InChIKey is XCDJMQRPMLFIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C6H13NO2.C2H5NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9;3-1-2(4)5/h1-5,8H,6,10H2,(H,11,12);4-5H,3,7H2,1-2H3,(H,8,9);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid?
2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid has a molecular weight of 371.43 g/mol, XLogP of 0.12, 7 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-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid is sourced from PubChem (CID 22323802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).