(carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid

C13H16N2O4 — CID 161132102

IUPAC(carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid
SMILESCC1(C)Cc2ccc(N(NC(=O)O)C(=O)O)cc2C1
InChIInChI=1S/C13H16N2O4/c1-13(2)6-8-3-4-10(5-9(8)7-13)15(12(18)19)14-11(16)17/h3-5,14H,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUMICOAVVRAAOOC-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.48
Rot. Bonds1

About (carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid

(carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid (PubChem CID 161132102) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid.

Molecular Properties

Compound Name(carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid
PubChem CID161132102
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid
SMILESCC1(C)Cc2ccc(N(NC(=O)O)C(=O)O)cc2C1
InChIInChI=1S/C13H16N2O4/c1-13(2)6-8-3-4-10(5-9(8)7-13)15(12(18)19)14-11(16)17/h3-5,14H,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUMICOAVVRAAOOC-UHFFFAOYSA-N
XLogP2.48
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)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

CID 122230063
CID 122230063
CID 118577253
CID 118577253
CID 49388
CID 49388
CID 57483834
CID 57483834
CID 59615667
CID 59615667
CID 59615676
CID 59615676
CID 59615693
CID 59615693
CID 59615699
CID 59615699
CID 67128578
CID 67128578
CID 67417811
CID 67417811
CID 67418484
CID 67418484
CID 67796900
CID 67796900

Frequently Asked Questions

What is the IUPAC name of (carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid?
The IUPAC name of (carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid (CID 161132102) is (carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid.
What is the SMILES notation for (carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid?
The canonical SMILES for (carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid is CC1(C)Cc2ccc(N(NC(=O)O)C(=O)O)cc2C1.
What is the InChIKey of (carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid?
The InChIKey is UMICOAVVRAAOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-13(2)6-8-3-4-10(5-9(8)7-13)15(12(18)19)14-11(16)17/h3-5,14H,6-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of (carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid?
(carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid has a molecular weight of 264.28 g/mol, XLogP of 2.48, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (carboxyamino)-(2,2-dimethyl-1,3-dihydroinden-5-yl)carbamic acid is sourced from PubChem (CID 161132102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).