[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid

C16H22N2O4 — CID 69464316

IUPAC[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C16H22N2O4/c1-16(2,3)13(18-15(21)22)14(20)17-12-10-7-5-4-6-9(10)8-11(12)19/h4-7,11-13,18-19H,8H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyDBASNQGZPXMGQO-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.44
Rot. Bonds3

About [1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid

[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 69464316) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
PubChem CID69464316
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C16H22N2O4/c1-16(2,3)13(18-15(21)22)14(20)17-12-10-7-5-4-6-9(10)8-11(12)19/h4-7,11-13,18-19H,8H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyDBASNQGZPXMGQO-UHFFFAOYSA-N
XLogP1.44
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid with MolForge

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Related Compounds

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3-benzyl-4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
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Frequently Asked Questions

What is the IUPAC name of [1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid (CID 69464316) is [1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid is CC(C)(C)C(NC(=O)O)C(=O)NC1c2ccccc2CC1O.
What is the InChIKey of [1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
The InChIKey is DBASNQGZPXMGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2,3)13(18-15(21)22)14(20)17-12-10-7-5-4-6-9(10)8-11(12)19/h4-7,11-13,18-19H,8H2,1-3H3,(H,17,20)(H,21,22).
What are the key properties of [1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid?
[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 306.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 69464316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).