3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide

C13H14N2O2 — CID 170875681

IUPAC3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide
SMILESNC(=O)CC(N)c1c(O)ccc2ccccc12
InChIInChI=1S/C13H14N2O2/c14-10(7-12(15)17)13-9-4-2-1-3-8(9)5-6-11(13)16/h1-6,10,16H,7,14H2,(H2,15,17)
InChIKeyKWSQLNFJAHMVQP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.42
Rot. Bonds3

About 3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide

3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide (PubChem CID 170875681) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide
PubChem CID170875681
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide
SMILESNC(=O)CC(N)c1c(O)ccc2ccccc12
InChIInChI=1S/C13H14N2O2/c14-10(7-12(15)17)13-9-4-2-1-3-8(9)5-6-11(13)16/h1-6,10,16H,7,14H2,(H2,15,17)
InChIKeyKWSQLNFJAHMVQP-UHFFFAOYSA-N
XLogP1.42
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
CID 171232039
1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
1-[(R)-amino(phenyl)methyl]naphthalen-2-ol
CID 6935961
1-[(1R)-1-amino-2-methylpropyl]naphthalen-2-ol
CID 39345560
1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride
CID 171212454
1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171232050
1-[(1R,2S)-1-amino-2-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171264640
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
4-anthracen-9-yl-3,4-dihydroxybutanamide
CID 171900199

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide?
The IUPAC name of 3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide (CID 170875681) is 3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide?
The canonical SMILES for 3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide is NC(=O)CC(N)c1c(O)ccc2ccccc12.
What is the InChIKey of 3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide?
The InChIKey is KWSQLNFJAHMVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-10(7-12(15)17)13-9-4-2-1-3-8(9)5-6-11(13)16/h1-6,10,16H,7,14H2,(H2,15,17).
What are the key properties of 3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide?
3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide has a molecular weight of 230.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide is sourced from PubChem (CID 170875681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).