(3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one

C14H17NO — CID 167541271

IUPAC(3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one
SMILESCC(=O)[C@@H](N)CC1=CCc2ccc(C)cc21
InChIInChI=1S/C14H17NO/c1-9-3-4-11-5-6-12(13(11)7-9)8-14(15)10(2)16/h3-4,6-7,14H,5,8,15H2,1-2H3/t14-/m0/s1
InChIKeyDNDXKOALMPXMKA-AWEZNQCLSA-N
MW215.30 g/mol
LogP2.24
Rot. Bonds3

About (3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one

(3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one (PubChem CID 167541271) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one
PubChem CID167541271
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one
SMILESCC(=O)[C@@H](N)CC1=CCc2ccc(C)cc21
InChIInChI=1S/C14H17NO/c1-9-3-4-11-5-6-12(13(11)7-9)8-14(15)10(2)16/h3-4,6-7,14H,5,8,15H2,1-2H3/t14-/m0/s1
InChIKeyDNDXKOALMPXMKA-AWEZNQCLSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one 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 (3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one?
The IUPAC name of (3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one (CID 167541271) is (3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one.
What is the SMILES notation for (3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one?
The canonical SMILES for (3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one is CC(=O)[C@@H](N)CC1=CCc2ccc(C)cc21.
What is the InChIKey of (3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one?
The InChIKey is DNDXKOALMPXMKA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-3-4-11-5-6-12(13(11)7-9)8-14(15)10(2)16/h3-4,6-7,14H,5,8,15H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one?
(3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one is sourced from PubChem (CID 167541271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).