methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride

C13H17ClN2O3 — CID 67874407

IUPACmethyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)[C@@H]1Cc2ccccc2N1.Cl
InChIInChI=1S/C13H16N2O3.ClH/c1-18-12(16)6-7-14-13(17)11-8-9-4-2-3-5-10(9)15-11;/h2-5,11,15H,6-8H2,1H3,(H,14,17);1H/t11-;/m0./s1
InChIKeyGQFPXPROXFPEAW-MERQFXBCSA-N
MW284.74 g/mol
LogP1.12
Rot. Bonds4

About methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride

methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride (PubChem CID 67874407) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
PubChem CID67874407
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Namemethyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)[C@@H]1Cc2ccccc2N1.Cl
InChIInChI=1S/C13H16N2O3.ClH/c1-18-12(16)6-7-14-13(17)11-8-9-4-2-3-5-10(9)15-11;/h2-5,11,15H,6-8H2,1H3,(H,14,17);1H/t11-;/m0./s1
InChIKeyGQFPXPROXFPEAW-MERQFXBCSA-N
XLogP1.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride with MolForge

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Related Compounds

3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148271
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537
(2S)-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63957351
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoate
CID 107222792
(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 113494764
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76929615
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923243

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride (CID 67874407) is methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride is COC(=O)CCNC(=O)[C@@H]1Cc2ccccc2N1.Cl.
What is the InChIKey of methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride?
The InChIKey is GQFPXPROXFPEAW-MERQFXBCSA-N. The full InChI is InChI=1S/C13H16N2O3.ClH/c1-18-12(16)6-7-14-13(17)11-8-9-4-2-3-5-10(9)15-11;/h2-5,11,15H,6-8H2,1H3,(H,14,17);1H/t11-;/m0./s1.
What are the key properties of methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride?
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride has a molecular weight of 284.74 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 67874407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).