(3-amino-2-tert-butylphenyl)carbamic acid

C11H16N2O2 — CID 151705129

IUPAC(3-amino-2-tert-butylphenyl)carbamic acid
SMILESCC(C)(C)c1c(N)cccc1NC(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,3)9-7(12)5-4-6-8(9)13-10(14)15/h4-6,13H,12H2,1-3H3,(H,14,15)
InChIKeyRFKMDCQLNYELML-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.66
Rot. Bonds1

About (3-amino-2-tert-butylphenyl)carbamic acid

(3-amino-2-tert-butylphenyl)carbamic acid (PubChem CID 151705129) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-amino-2-tert-butylphenyl)carbamic acid.

Molecular Properties

Compound Name(3-amino-2-tert-butylphenyl)carbamic acid
PubChem CID151705129
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3-amino-2-tert-butylphenyl)carbamic acid
SMILESCC(C)(C)c1c(N)cccc1NC(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,3)9-7(12)5-4-6-8(9)13-10(14)15/h4-6,13H,12H2,1-3H3,(H,14,15)
InChIKeyRFKMDCQLNYELML-UHFFFAOYSA-N
XLogP2.66
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
(3-amino-2-methylphenyl)urea
CID 16770559
(3-amino-2-tert-butylphenyl) carbamate
CID 67424398
N-(2-aminophenyl)-2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 82031891
N-(2-aminophenyl)-3-tert-butylbenzamide
CID 156733569
(3-tert-butyl-2-prop-2-ynylphenyl)carbamic acid
CID 87064369
N-(2-amino-6-tert-butylphenyl)acetamide
CID 11959033
N-[2-(2-amino-6-methylphenyl)-3-methylphenyl]acetamide
CID 135260414
N-(2-aminophenyl)acetamide;2-methanidylpropane;vanadium(2+)
CID 153457478
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
(2-formyl-3-hydroxyphenyl)carbamic acid
CID 90457629
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-tert-butylphenyl)carbamic acid?
The IUPAC name of (3-amino-2-tert-butylphenyl)carbamic acid (CID 151705129) is (3-amino-2-tert-butylphenyl)carbamic acid.
What is the SMILES notation for (3-amino-2-tert-butylphenyl)carbamic acid?
The canonical SMILES for (3-amino-2-tert-butylphenyl)carbamic acid is CC(C)(C)c1c(N)cccc1NC(=O)O.
What is the InChIKey of (3-amino-2-tert-butylphenyl)carbamic acid?
The InChIKey is RFKMDCQLNYELML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)9-7(12)5-4-6-8(9)13-10(14)15/h4-6,13H,12H2,1-3H3,(H,14,15).
What are the key properties of (3-amino-2-tert-butylphenyl)carbamic acid?
(3-amino-2-tert-butylphenyl)carbamic acid has a molecular weight of 208.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-tert-butylphenyl)carbamic acid is sourced from PubChem (CID 151705129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).