tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)

C20H47N7O14 — CID 23551161

IUPACtetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)
SMILESCC(C)C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C6H13NO2.2C3H7NO2.4C2H5NO2/c1-4(2)3-5(7)6(8)9;2*1-2(4)3(5)6;4*3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2*2H,4H2,1H3,(H,5,6);4*1,3H2,(H,4,5)/t5-;2*2-;;;;/m000..../s1
InChIKeySFLPUIPCFLVEOU-JXDGYQNPSA-N
MW609.63 g/mol
LogP-4.60
Rot. Bonds9

About tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)

tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid) (PubChem CID 23551161) has the molecular formula C20H47N7O14 and a molecular weight of 609.63 g/mol. Its IUPAC name is tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid).

Molecular Properties

Compound Nametetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)
PubChem CID23551161
Molecular FormulaC20H47N7O14
Molecular Weight609.63 g/mol
Exact Mass609.32
IUPAC Nametetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)
SMILESCC(C)C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O
InChIInChI=1S/C6H13NO2.2C3H7NO2.4C2H5NO2/c1-4(2)3-5(7)6(8)9;2*1-2(4)3(5)6;4*3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2*2H,4H2,1H3,(H,5,6);4*1,3H2,(H,4,5)/t5-;2*2-;;;;/m000..../s1
InChIKeySFLPUIPCFLVEOU-JXDGYQNPSA-N
XLogP-4.60
TPSA443.24 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500609.63
LogP ≤ 5-4.60
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

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Launch Full Analysis

Related Compounds

bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
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-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87699670
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
copper;octakis(2-aminoacetic acid);bis((2S)-2-amino-4-methylpentanoic acid);tetrakis((2S)-2-aminopropanoic acid);bis((2R)-2-amino-3-sulfanylpropanoate)
CID 173087541
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)?
The IUPAC name of tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid) (CID 23551161) is tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid).
What is the SMILES notation for tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)?
The canonical SMILES for tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid) is CC(C)C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.
What is the InChIKey of tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)?
The InChIKey is SFLPUIPCFLVEOU-JXDGYQNPSA-N. The full InChI is InChI=1S/C6H13NO2.2C3H7NO2.4C2H5NO2/c1-4(2)3-5(7)6(8)9;2*1-2(4)3(5)6;4*3-1-2(4)5/h4-5H,3,7H2,1-2H3,(H,8,9);2*2H,4H2,1H3,(H,5,6);4*1,3H2,(H,4,5)/t5-;2*2-;;;;/m000..../s1.
What are the key properties of tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)?
tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid) has a molecular weight of 609.63 g/mol, XLogP of -4.60, 9 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid) is sourced from PubChem (CID 23551161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).