2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid

C13H17NO4 — CID 122658030

IUPAC2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid
SMILESCOCCON(C(=O)O)C1CCc2ccccc21
InChIInChI=1S/C13H17NO4/c1-17-8-9-18-14(13(15)16)12-7-6-10-4-2-3-5-11(10)12/h2-5,12H,6-9H2,1H3,(H,15,16)
InChIKeyQJLQCMJJUDYYJB-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.23
Rot. Bonds5

About 2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid

2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid (PubChem CID 122658030) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid
PubChem CID122658030
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid
SMILESCOCCON(C(=O)O)C1CCc2ccccc21
InChIInChI=1S/C13H17NO4/c1-17-8-9-18-14(13(15)16)12-7-6-10-4-2-3-5-11(10)12/h2-5,12H,6-9H2,1H3,(H,15,16)
InChIKeyQJLQCMJJUDYYJB-UHFFFAOYSA-N
XLogP2.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid 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

2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
CID 87438864
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
CID 47236430
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
(1S)-N-cyclopropyl-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 95164534
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 37058374
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443
methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid (CID 122658030) is 2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid is COCCON(C(=O)O)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid?
The InChIKey is QJLQCMJJUDYYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-8-9-18-14(13(15)16)12-7-6-10-4-2-3-5-11(10)12/h2-5,12H,6-9H2,1H3,(H,15,16).
What are the key properties of 2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid?
2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid has a molecular weight of 251.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid is sourced from PubChem (CID 122658030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).