2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)

C31H51N5O10 — CID 67055229

IUPAC2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)
SMILESCC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/2C9H11NO2.C6H13NO2.C5H11NO2.C2H5NO2/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9;1-3(2)4(6)5(7)8;3-1-2(4)5/h2*1-5,8H,6,10H2,(H,11,12);4-5H,3,7H2,1-2H3,(H,8,9);3-4H,6H2,1-2H3,(H,7,8);1,3H2,(H,4,5)/t2*8-;5-;4-;/m0000./s1
InChIKeyMKJBAPYNBGAZEK-GJBWKJBBSA-N
MW653.77 g/mol
LogP0.81
Rot. Bonds12

About 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)

2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid) (PubChem CID 67055229) has the molecular formula C31H51N5O10 and a molecular weight of 653.77 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid).

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)
PubChem CID67055229
Molecular FormulaC31H51N5O10
Molecular Weight653.77 g/mol
Exact Mass653.36
IUPAC Name2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)
SMILESCC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/2C9H11NO2.C6H13NO2.C5H11NO2.C2H5NO2/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9;1-3(2)4(6)5(7)8;3-1-2(4)5/h2*1-5,8H,6,10H2,(H,11,12);4-5H,3,7H2,1-2H3,(H,8,9);3-4H,6H2,1-2H3,(H,7,8);1,3H2,(H,4,5)/t2*8-;5-;4-;/m0000./s1
InChIKeyMKJBAPYNBGAZEK-GJBWKJBBSA-N
XLogP0.81
TPSA316.60 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.77
LogP ≤ 50.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
CID 22323802
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
tetrakis(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 23551203
(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
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 67120739
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2R)-2-amino-3-methylbutanoic acid
CID 161457314

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)?
The IUPAC name of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid) (CID 67055229) is 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid).
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid) is CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)?
The InChIKey is MKJBAPYNBGAZEK-GJBWKJBBSA-N. The full InChI is InChI=1S/2C9H11NO2.C6H13NO2.C5H11NO2.C2H5NO2/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9;1-3(2)4(6)5(7)8;3-1-2(4)5/h2*1-5,8H,6,10H2,(H,11,12);4-5H,3,7H2,1-2H3,(H,8,9);3-4H,6H2,1-2H3,(H,7,8);1,3H2,(H,4,5)/t2*8-;5-;4-;/m0000./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid)?
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid) has a molecular weight of 653.77 g/mol, XLogP of 0.81, 12 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid) is sourced from PubChem (CID 67055229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).