methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate

C15H19NO2 — CID 104693831

IUPACmethyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate
SMILESCOC(=O)C(NC1Cc2ccccc2C1)C1CC1
InChIInChI=1S/C15H19NO2/c1-18-15(17)14(10-6-7-10)16-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13-14,16H,6-9H2,1H3
InChIKeyQUTTZXFGCRAEDO-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.70
Rot. Bonds4

About methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate

methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate (PubChem CID 104693831) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate
PubChem CID104693831
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate
SMILESCOC(=O)C(NC1Cc2ccccc2C1)C1CC1
InChIInChI=1S/C15H19NO2/c1-18-15(17)14(10-6-7-10)16-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13-14,16H,6-9H2,1H3
InChIKeyQUTTZXFGCRAEDO-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate with MolForge

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

Launch Full Analysis

Related Compounds

2-Indanylglycine
CID 9990113
methyl 2-[[(1S,2R)-2-phenylcyclopropyl]amino]propanoate
CID 67378910
Methyl 2-(butylamino)-3-phenylpropanoate
CID 23364914
Methyl (2S)-2-(benzylamino)-4-methylpentanoate
CID 9991680
N-(2-indanyl)glycine ethyl ester hydrochloride
CID 13132277
Methyl 2-(indanylamino)acetate
CID 23302032
methyl (2S,3S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-3-methylpentanoate
CID 91342520
Methyl 2-(ethylamino)-3-phenylpropanoate
CID 21663345
Methyl (2S,3S)-2-(benzylamino)-3-methylpentanoate
CID 51340338
2-[[(2S)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]pentanoic acid
CID 69168934
2-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)amino]pentanoic acid
CID 69168936
2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]pentanoic acid
CID 69189671

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate (CID 104693831) is methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate is COC(=O)C(NC1Cc2ccccc2C1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate?
The InChIKey is QUTTZXFGCRAEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-15(17)14(10-6-7-10)16-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13-14,16H,6-9H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate?
methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate has a molecular weight of 245.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate is sourced from PubChem (CID 104693831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).