(1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid

C10H10ClNO2 — CID 130647398

IUPAC(1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESN[C@@H]1CCc2c1ccc(Cl)c2C(=O)O
InChIInChI=1S/C10H10ClNO2/c11-7-3-1-5-6(2-4-8(5)12)9(7)10(13)14/h1,3,8H,2,4,12H2,(H,13,14)/t8-/m1/s1
InChIKeyZTCSOTYUJITBAJ-MRVPVSSYSA-N
MW211.65 g/mol
LogP1.98
Rot. Bonds1

About (1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid

(1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid (PubChem CID 130647398) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid.

Molecular Properties

Compound Name(1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid
PubChem CID130647398
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESN[C@@H]1CCc2c1ccc(Cl)c2C(=O)O
InChIInChI=1S/C10H10ClNO2/c11-7-3-1-5-6(2-4-8(5)12)9(7)10(13)14/h1,3,8H,2,4,12H2,(H,13,14)/t8-/m1/s1
InChIKeyZTCSOTYUJITBAJ-MRVPVSSYSA-N
XLogP1.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-amino-4-chloro-2,3-dihydro-1H-indene-5-carboxylic acid
CID 130839484
(1S)-5-chloro-4-iodo-2,3-dihydro-1H-inden-1-amine
CID 130632392
(1R)-1-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 130682508
(1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid
CID 131095589
2-chloro-6-cyclopentylbenzoic acid
CID 90041585
5-O-methyl 4-O-propan-2-yl 1-amino-2,3-dihydro-1H-indene-4,5-dicarboxylate
CID 150000037
methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387
5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;chloromethane
CID 159655491
2,3-dihydro-1H-indene-1,4-diamine
CID 55293440
(3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 130641905
4-chloro-5-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55272709
(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol
CID 55278137

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid?
The IUPAC name of (1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid (CID 130647398) is (1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid.
What is the SMILES notation for (1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid?
The canonical SMILES for (1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid is N[C@@H]1CCc2c1ccc(Cl)c2C(=O)O.
What is the InChIKey of (1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid?
The InChIKey is ZTCSOTYUJITBAJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-7-3-1-5-6(2-4-8(5)12)9(7)10(13)14/h1,3,8H,2,4,12H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid?
(1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid has a molecular weight of 211.65 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-5-chloro-2,3-dihydro-1H-indene-4-carboxylic acid is sourced from PubChem (CID 130647398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).