methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride

C13H18ClNO2 — CID 163202613

IUPACmethyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)CC1CCc2ccccc21.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-16-13(15)12(14)8-10-7-6-9-4-2-3-5-11(9)10;/h2-5,10,12H,6-8,14H2,1H3;1H/t10?,12-;/m1./s1
InChIKeyNTTGCKKOHVNGIO-ULIKACSMSA-N
MW255.75 g/mol
LogP2.03
Rot. Bonds3

About methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride

methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride (PubChem CID 163202613) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride
PubChem CID163202613
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Namemethyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)CC1CCc2ccccc21.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-16-13(15)12(14)8-10-7-6-9-4-2-3-5-11(9)10;/h2-5,10,12H,6-8,14H2,1H3;1H/t10?,12-;/m1./s1
InChIKeyNTTGCKKOHVNGIO-ULIKACSMSA-N
XLogP2.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate
CID 157035640
[(1R)-2,3-dihydro-1H-inden-1-yl]methyl acetate
CID 129405873
3-amino-4-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116593963
4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide
CID 120592176
2-amino-3-methoxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120993734
2-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-2-phenylacetamide;hydrochloride
CID 119323377
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
methyl 2-amino-4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfanyl)butanoate
CID 66419714
methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate
CID 163741476
methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride
CID 73425474
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789
N-benzhydryloxy-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 57188688

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride (CID 163202613) is methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride is COC(=O)[C@H](N)CC1CCc2ccccc21.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride?
The InChIKey is NTTGCKKOHVNGIO-ULIKACSMSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-16-13(15)12(14)8-10-7-6-9-4-2-3-5-11(9)10;/h2-5,10,12H,6-8,14H2,1H3;1H/t10?,12-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride?
methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 163202613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).