(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)

C19H31N5O9 — CID 23525132

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)
SMILESNC(=O)CC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.2C5H10N2O3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;2*6-3(5(9)10)1-2-4(7)8/h1-4,8,11H,5,10H2,(H,12,13);2*3H,1-2,6H2,(H2,7,8)(H,9,10)/t8-;2*3-/m000/s1
InChIKeyBBLZUAGANOSXFU-NOXAMSDKSA-N
MW473.48 g/mol
LogP-2.33
Rot. Bonds11

About (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid) (PubChem CID 23525132) has the molecular formula C19H31N5O9 and a molecular weight of 473.48 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid).

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)
PubChem CID23525132
Molecular FormulaC19H31N5O9
Molecular Weight473.48 g/mol
Exact Mass473.21
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)
SMILESNC(=O)CC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.2C5H10N2O3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;2*6-3(5(9)10)1-2-4(7)8/h1-4,8,11H,5,10H2,(H,12,13);2*3H,1-2,6H2,(H2,7,8)(H,9,10)/t8-;2*3-/m000/s1
InChIKeyBBLZUAGANOSXFU-NOXAMSDKSA-N
XLogP-2.33
TPSA296.37 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 5-2.33
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid) with MolForge

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Related Compounds

bis((2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid);(2S)-2,5-diamino-5-oxopentanoic acid
CID 67572518
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 70284210
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-(4-hydroxyphenyl)propanoic acid;benzene;pentanamide
CID 174626271

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid) (CID 23525132) is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid).
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid) is NC(=O)CC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)?
The InChIKey is BBLZUAGANOSXFU-NOXAMSDKSA-N. The full InChI is InChI=1S/C9H11NO3.2C5H10N2O3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;2*6-3(5(9)10)1-2-4(7)8/h1-4,8,11H,5,10H2,(H,12,13);2*3H,1-2,6H2,(H2,7,8)(H,9,10)/t8-;2*3-/m000/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)?
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid) has a molecular weight of 473.48 g/mol, XLogP of -2.33, 11 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid) is sourced from PubChem (CID 23525132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).