2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide

C14H20N2O2 — CID 115179814

IUPAC2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
SMILESNC(CO)C(=O)NCc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20N2O2/c15-13(9-17)14(18)16-8-10-5-6-11-3-1-2-4-12(11)7-10/h5-7,13,17H,1-4,8-9,15H2,(H,16,18)
InChIKeyKETFBAXHGMAWAU-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.50
Rot. Bonds4

About 2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide

2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide (PubChem CID 115179814) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
PubChem CID115179814
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
SMILESNC(CO)C(=O)NCc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20N2O2/c15-13(9-17)14(18)16-8-10-5-6-11-3-1-2-4-12(11)7-10/h5-7,13,17H,1-4,8-9,15H2,(H,16,18)
InChIKeyKETFBAXHGMAWAU-UHFFFAOYSA-N
XLogP0.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)propanoic acid
CID 115164248
2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115179889
(2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide
CID 142480000
(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
CID 142480144
1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
CID 115182209
methyl (2S)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-hydroxypropanoate
CID 139239849
2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
CID 65314706
2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
CID 82495806
(2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide
CID 167820235
2-amino-3-hydroxy-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115179895
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-sulfanylpropanamide
CID 115167829
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide
CID 115158822

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide (CID 115179814) is 2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide is NC(CO)C(=O)NCc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide?
The InChIKey is KETFBAXHGMAWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13(9-17)14(18)16-8-10-5-6-11-3-1-2-4-12(11)7-10/h5-7,13,17H,1-4,8-9,15H2,(H,16,18).
What are the key properties of 2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide?
2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide is sourced from PubChem (CID 115179814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).