(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid

C13H18N2O4 — CID 57323834

IUPAC(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
SMILESNC(CC[C@@H](N)C(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O4/c14-10(12(16)17)6-7-11(15)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,14-15H2,(H,16,17)/t10-,11?/m1/s1
InChIKeyVSJVTIUBGGZOSC-NFJWQWPMSA-N
MW266.30 g/mol
LogP0.25
Rot. Bonds7

About (2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid

(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid (PubChem CID 57323834) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid.

Molecular Properties

Compound Name(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
PubChem CID57323834
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
SMILESNC(CC[C@@H](N)C(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O4/c14-10(12(16)17)6-7-11(15)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,14-15H2,(H,16,17)/t10-,11?/m1/s1
InChIKeyVSJVTIUBGGZOSC-NFJWQWPMSA-N
XLogP0.25
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid?
The IUPAC name of (2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid (CID 57323834) is (2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid.
What is the SMILES notation for (2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid?
The canonical SMILES for (2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid is NC(CC[C@@H](N)C(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of (2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid?
The InChIKey is VSJVTIUBGGZOSC-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H18N2O4/c14-10(12(16)17)6-7-11(15)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,14-15H2,(H,16,17)/t10-,11?/m1/s1.
What are the key properties of (2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid?
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid is sourced from PubChem (CID 57323834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).