(2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid

C15H18N2O3 — CID 57235377

IUPAC(2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid
SMILESC[C@](N)(C(=O)O)c1ccc(CO)c2cc(CN)ccc12
InChIInChI=1S/C15H18N2O3/c1-15(17,14(19)20)13-5-3-10(8-18)12-6-9(7-16)2-4-11(12)13/h2-6,18H,7-8,16-17H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyAGWSNQSQTVFHFG-OAHLLOKOSA-N
MW274.32 g/mol
LogP1.05
Rot. Bonds4

About (2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid

(2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid (PubChem CID 57235377) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid
PubChem CID57235377
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid
SMILESC[C@](N)(C(=O)O)c1ccc(CO)c2cc(CN)ccc12
InChIInChI=1S/C15H18N2O3/c1-15(17,14(19)20)13-5-3-10(8-18)12-6-9(7-16)2-4-11(12)13/h2-6,18H,7-8,16-17H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyAGWSNQSQTVFHFG-OAHLLOKOSA-N
XLogP1.05
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid?
The IUPAC name of (2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid (CID 57235377) is (2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid is C[C@](N)(C(=O)O)c1ccc(CO)c2cc(CN)ccc12.
What is the InChIKey of (2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid?
The InChIKey is AGWSNQSQTVFHFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(17,14(19)20)13-5-3-10(8-18)12-6-9(7-16)2-4-11(12)13/h2-6,18H,7-8,16-17H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid?
(2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid is sourced from PubChem (CID 57235377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).