(2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid

C14H20N2O4 — CID 22826677

IUPAC(2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid
SMILESNCCC(C[C@H](N)C(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O4/c15-7-6-11(8-12(16)13(17)18)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15-16H2,(H,17,18)/t11?,12-/m0/s1
InChIKeyLQSDAJPJPUBYCU-KIYNQFGBSA-N
MW280.32 g/mol
LogP0.50
Rot. Bonds8

About (2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid

(2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid (PubChem CID 22826677) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid.

Molecular Properties

Compound Name(2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid
PubChem CID22826677
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid
SMILESNCCC(C[C@H](N)C(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O4/c15-7-6-11(8-12(16)13(17)18)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15-16H2,(H,17,18)/t11?,12-/m0/s1
InChIKeyLQSDAJPJPUBYCU-KIYNQFGBSA-N
XLogP0.50
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid?
The IUPAC name of (2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid (CID 22826677) is (2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid.
What is the SMILES notation for (2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid?
The canonical SMILES for (2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid is NCCC(C[C@H](N)C(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of (2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid?
The InChIKey is LQSDAJPJPUBYCU-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H20N2O4/c15-7-6-11(8-12(16)13(17)18)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15-16H2,(H,17,18)/t11?,12-/m0/s1.
What are the key properties of (2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid?
(2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-4-phenylmethoxycarbonylhexanoic acid is sourced from PubChem (CID 22826677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).