2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride

C11H14ClNO2 — CID 22976313

IUPAC2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CN[C@H]1CCc2ccccc21
InChIInChI=1S/C11H13NO2.ClH/c13-11(14)7-12-10-6-5-8-3-1-2-4-9(8)10;/h1-4,10,12H,5-7H2,(H,13,14);1H/t10-;/m0./s1
InChIKeyRXKKOCWSHFOUGI-PPHPATTJSA-N
MW227.69 g/mol
LogP1.77
Rot. Bonds3

About 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride (PubChem CID 22976313) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
PubChem CID22976313
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CN[C@H]1CCc2ccccc21
InChIInChI=1S/C11H13NO2.ClH/c13-11(14)7-12-10-6-5-8-3-1-2-4-9(8)10;/h1-4,10,12H,5-7H2,(H,13,14);1H/t10-;/m0./s1
InChIKeyRXKKOCWSHFOUGI-PPHPATTJSA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride 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-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
2-(2,3-dihydro-1H-inden-1-ylamino)-N,N-dimethylacetamide
CID 43215159
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylethanone
CID 43411240
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
2-(2,3-dihydro-1H-inden-1-ylamino)acetic acid;prop-2-enyl (2S)-2-amino-3-methylbutanoate
CID 131731717
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60702700
N-butan-2-yl-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 43424190
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
butanedioic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 44611628
2-(2,3-dihydro-1H-inden-1-ylamino)-1-morpholin-4-ylethanone
CID 43411223
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride?
The IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride (CID 22976313) is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride is Cl.O=C(O)CN[C@H]1CCc2ccccc21.
What is the InChIKey of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride?
The InChIKey is RXKKOCWSHFOUGI-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c13-11(14)7-12-10-6-5-8-3-1-2-4-9(8)10;/h1-4,10,12H,5-7H2,(H,13,14);1H/t10-;/m0./s1.
What are the key properties of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride?
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride is sourced from PubChem (CID 22976313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).