(2-propan-2-yloxyethylamino)carbamic acid

C6H14N2O3 — CID 88575815

IUPAC(2-propan-2-yloxyethylamino)carbamic acid
SMILESCC(C)OCCNNC(=O)O
InChIInChI=1S/C6H14N2O3/c1-5(2)11-4-3-7-8-6(9)10/h5,7-8H,3-4H2,1-2H3,(H,9,10)
InChIKeyHWXZKEAGNQBOGY-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.18
Rot. Bonds5

About (2-propan-2-yloxyethylamino)carbamic acid

(2-propan-2-yloxyethylamino)carbamic acid (PubChem CID 88575815) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2-propan-2-yloxyethylamino)carbamic acid.

Molecular Properties

Compound Name(2-propan-2-yloxyethylamino)carbamic acid
PubChem CID88575815
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name(2-propan-2-yloxyethylamino)carbamic acid
SMILESCC(C)OCCNNC(=O)O
InChIInChI=1S/C6H14N2O3/c1-5(2)11-4-3-7-8-6(9)10/h5,7-8H,3-4H2,1-2H3,(H,9,10)
InChIKeyHWXZKEAGNQBOGY-UHFFFAOYSA-N
XLogP0.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.18
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-propan-2-yloxyethylurea
CID 22179539
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
(E)-4-oxo-4-(2-propan-2-yloxyethylamino)but-2-enoic acid
CID 104759078
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805
3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
CID 103266484
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate
CID 134214872
2-(2-methoxyethoxy)-N-(2-propan-2-yloxyethyl)acetamide
CID 104578556
4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one
CID 134214874
propan-2-yloxymethylcarbamic acid
CID 175833314
2-propan-2-yloxyethyl N-aminocarbamate
CID 154208256

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyethylamino)carbamic acid?
The IUPAC name of (2-propan-2-yloxyethylamino)carbamic acid (CID 88575815) is (2-propan-2-yloxyethylamino)carbamic acid.
What is the SMILES notation for (2-propan-2-yloxyethylamino)carbamic acid?
The canonical SMILES for (2-propan-2-yloxyethylamino)carbamic acid is CC(C)OCCNNC(=O)O.
What is the InChIKey of (2-propan-2-yloxyethylamino)carbamic acid?
The InChIKey is HWXZKEAGNQBOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-5(2)11-4-3-7-8-6(9)10/h5,7-8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of (2-propan-2-yloxyethylamino)carbamic acid?
(2-propan-2-yloxyethylamino)carbamic acid has a molecular weight of 162.19 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyethylamino)carbamic acid is sourced from PubChem (CID 88575815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).