2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)

C20H27N3O6 — CID 19809864

IUPAC2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)
SMILESNC(Cc1ccccc1)C(=O)O.NC(Cc1ccccc1)C(=O)O.NCC(=O)O
InChIInChI=1S/2C9H11NO2.C2H5NO2/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;3-1-2(4)5/h2*1-5,8H,6,10H2,(H,11,12);1,3H2,(H,4,5)
InChIKeyCQBYLZOLQTWVOB-UHFFFAOYSA-N
MW405.45 g/mol
LogP0.31
Rot. Bonds7

About 2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)

2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid) (PubChem CID 19809864) has the molecular formula C20H27N3O6 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid).

Molecular Properties

Compound Name2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)
PubChem CID19809864
Molecular FormulaC20H27N3O6
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC Name2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)
SMILESNC(Cc1ccccc1)C(=O)O.NC(Cc1ccccc1)C(=O)O.NCC(=O)O
InChIInChI=1S/2C9H11NO2.C2H5NO2/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;3-1-2(4)5/h2*1-5,8H,6,10H2,(H,11,12);1,3H2,(H,4,5)
InChIKeyCQBYLZOLQTWVOB-UHFFFAOYSA-N
XLogP0.31
TPSA189.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 50.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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-((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
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
CID 22323802
CID 70476310
CID 70476310
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)?
The IUPAC name of 2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid) (CID 19809864) is 2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid).
What is the SMILES notation for 2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)?
The canonical SMILES for 2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid) is NC(Cc1ccccc1)C(=O)O.NC(Cc1ccccc1)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)?
The InChIKey is CQBYLZOLQTWVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11NO2.C2H5NO2/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;3-1-2(4)5/h2*1-5,8H,6,10H2,(H,11,12);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)?
2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid) has a molecular weight of 405.45 g/mol, XLogP of 0.31, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid) is sourced from PubChem (CID 19809864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).