2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid

C16H21NO3 — CID 170880171

IUPAC2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid
SMILESNC(Cc1cc2c(cc1OCC1CC1)CCC2)C(=O)O
InChIInChI=1S/C16H21NO3/c17-14(16(18)19)7-13-6-11-2-1-3-12(11)8-15(13)20-9-10-4-5-10/h6,8,10,14H,1-5,7,9,17H2,(H,18,19)
InChIKeyVPGHXUYVOREDNK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.92
Rot. Bonds6

About 2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid

2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid (PubChem CID 170880171) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid
PubChem CID170880171
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid
SMILESNC(Cc1cc2c(cc1OCC1CC1)CCC2)C(=O)O
InChIInChI=1S/C16H21NO3/c17-14(16(18)19)7-13-6-11-2-1-3-12(11)8-15(13)20-9-10-4-5-10/h6,8,10,14H,1-5,7,9,17H2,(H,18,19)
InChIKeyVPGHXUYVOREDNK-UHFFFAOYSA-N
XLogP1.92
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
CID 117417115
3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine
CID 170866549
2-amino-3-(2,3-dihydro-1H-inden-4-yl)propanoic acid
CID 13406794
(2S)-2-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-phenylpropanamide
CID 119339475
methyl 2-amino-3-[4-(cyclopropylmethoxy)naphthalen-1-yl]propanoate
CID 170884444
2-amino-3-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117456121
2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
CID 117426372
1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894074
4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
CID 43560583
2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid
CID 83837749
2-amino-3-(2-bicyclo[2.2.2]octa-1,3,5-trienyl)propanoic acid
CID 164530915
2-amino-3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117447869

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid?
The IUPAC name of 2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid (CID 170880171) is 2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid is NC(Cc1cc2c(cc1OCC1CC1)CCC2)C(=O)O.
What is the InChIKey of 2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid?
The InChIKey is VPGHXUYVOREDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c17-14(16(18)19)7-13-6-11-2-1-3-12(11)8-15(13)20-9-10-4-5-10/h6,8,10,14H,1-5,7,9,17H2,(H,18,19).
What are the key properties of 2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid?
2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid is sourced from PubChem (CID 170880171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).