(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid

C14H20N2O4 — CID 70487944

IUPAC(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
SMILESNC(CCC[C@H](N)C(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O4/c15-11(13(17)18)7-4-8-12(16)14(19)20-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15-16H2,(H,17,18)/t11?,12-/m0/s1
InChIKeyJVEUTCWLEJSEDI-KIYNQFGBSA-N
MW280.32 g/mol
LogP0.64
Rot. Bonds8

About (6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid

(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid (PubChem CID 70487944) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid.

Molecular Properties

Compound Name(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
PubChem CID70487944
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
SMILESNC(CCC[C@H](N)C(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O4/c15-11(13(17)18)7-4-8-12(16)14(19)20-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15-16H2,(H,17,18)/t11?,12-/m0/s1
InChIKeyJVEUTCWLEJSEDI-KIYNQFGBSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
benzyl 2,6-diaminohexanoate;hydrochloride
CID 67841130
benzyl (2S)-2,6-diamino-8,8,8-trifluoro-7-oxooctanoate;hydrochloride
CID 69483469
benzyl 2-amino-4-iodobutanoate
CID 141050594
benzyl 2-amino-4-bromobutanoate
CID 18467389
benzyl (2S)-2-amino-4-bromobutanoate
CID 67264849
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146
2,7-diamino-7-oxo-6-(phenylmethoxycarbonylamino)heptanoic acid
CID 11493537
benzyl 2,3-diaminopropanoate
CID 19891176
benzyl 2-amino-4-methoxybutanoate
CID 62479875

Frequently Asked Questions

What is the IUPAC name of (6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid?
The IUPAC name of (6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid (CID 70487944) is (6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid.
What is the SMILES notation for (6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid?
The canonical SMILES for (6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid is NC(CCC[C@H](N)C(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid?
The InChIKey is JVEUTCWLEJSEDI-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H20N2O4/c15-11(13(17)18)7-4-8-12(16)14(19)20-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15-16H2,(H,17,18)/t11?,12-/m0/s1.
What are the key properties of (6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid?
(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid is sourced from PubChem (CID 70487944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).