2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid

C13H21N3O5 — CID 161215657

IUPAC2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid
SMILESNC(C(=O)O)c1ccc(O)cc1.NCCC[C@H](N)C(=O)O
InChIInChI=1S/C8H9NO3.C5H12N2O2/c9-7(8(11)12)5-1-3-6(10)4-2-5;6-3-1-2-4(7)5(8)9/h1-4,7,10H,9H2,(H,11,12);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1
InChIKeyUWVBQTMZIFGBRF-VWMHFEHESA-N
MW299.33 g/mol
LogP-0.39
Rot. Bonds6

About 2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid

2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid (PubChem CID 161215657) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid.

Molecular Properties

Compound Name2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid
PubChem CID161215657
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid
SMILESNC(C(=O)O)c1ccc(O)cc1.NCCC[C@H](N)C(=O)O
InChIInChI=1S/C8H9NO3.C5H12N2O2/c9-7(8(11)12)5-1-3-6(10)4-2-5;6-3-1-2-4(7)5(8)9/h1-4,7,10H,9H2,(H,11,12);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1
InChIKeyUWVBQTMZIFGBRF-VWMHFEHESA-N
XLogP-0.39
TPSA172.89 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid?
The IUPAC name of 2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid (CID 161215657) is 2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid.
What is the SMILES notation for 2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid?
The canonical SMILES for 2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid is NC(C(=O)O)c1ccc(O)cc1.NCCC[C@H](N)C(=O)O.
What is the InChIKey of 2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid?
The InChIKey is UWVBQTMZIFGBRF-VWMHFEHESA-N. The full InChI is InChI=1S/C8H9NO3.C5H12N2O2/c9-7(8(11)12)5-1-3-6(10)4-2-5;6-3-1-2-4(7)5(8)9/h1-4,7,10H,9H2,(H,11,12);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1.
What are the key properties of 2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid?
2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid has a molecular weight of 299.33 g/mol, XLogP of -0.39, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-hydroxyphenyl)acetic acid;(2S)-2,5-diaminopentanoic acid is sourced from PubChem (CID 161215657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).