2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane

C13H19NO2 — CID 178025111

IUPAC2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane
SMILESCC.NC(C(=O)O)C1Cc2ccccc2C1
InChIInChI=1S/C11H13NO2.C2H6/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9;1-2/h1-4,9-10H,5-6,12H2,(H,13,14);1-2H3
InChIKeyHLOKYVKKAQUGRV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds2

About 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane

2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane (PubChem CID 178025111) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane.

Molecular Properties

Compound Name2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane
PubChem CID178025111
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane
SMILESCC.NC(C(=O)O)C1Cc2ccccc2C1
InChIInChI=1S/C11H13NO2.C2H6/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9;1-2/h1-4,9-10H,5-6,12H2,(H,13,14);1-2H3
InChIKeyHLOKYVKKAQUGRV-UHFFFAOYSA-N
XLogP1.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 124706120
2-amino-2-(3-oxocyclobutyl)acetic acid
CID 121208056
(2S)-2-amino-2-(3-oxocyclobutyl)acetic acid
CID 129493888
prop-2-enyl (2S,5S)-5-amino-5-(2,3-dihydro-1H-inden-2-yl)-4-oxo-2-propan-2-ylpentanoate
CID 58206154
(2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid
CID 97304435
2-(1,2,3,4-tetrahydronaphthalen-2-yl)butanoic acid
CID 142773351
1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine
CID 79177968
(2S)-2-[[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxoethyl]amino]propanoic acid
CID 54203431
(1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one
CID 59814447
2-amino-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 14599683
1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea
CID 143354834
2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane?
The IUPAC name of 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane (CID 178025111) is 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane.
What is the SMILES notation for 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane?
The canonical SMILES for 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane is CC.NC(C(=O)O)C1Cc2ccccc2C1.
What is the InChIKey of 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane?
The InChIKey is HLOKYVKKAQUGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C2H6/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9;1-2/h1-4,9-10H,5-6,12H2,(H,13,14);1-2H3.
What are the key properties of 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane?
2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane has a molecular weight of 221.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane is sourced from PubChem (CID 178025111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).