azane;propan-2-yl carbamate

C4H12N2O2 — CID 172769477

IUPACazane;propan-2-yl carbamate
SMILESCC(C)OC(N)=O.N
InChIInChI=1S/C4H9NO2.H3N/c1-3(2)7-4(5)6;/h3H,1-2H3,(H2,5,6);1H3
InChIKeyMTJLFDYEWHNWHL-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.65
Rot. Bonds1

About azane;propan-2-yl carbamate

azane;propan-2-yl carbamate (PubChem CID 172769477) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is azane;propan-2-yl carbamate.

Molecular Properties

Compound Nameazane;propan-2-yl carbamate
PubChem CID172769477
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Nameazane;propan-2-yl carbamate
SMILESCC(C)OC(N)=O.N
InChIInChI=1S/C4H9NO2.H3N/c1-3(2)7-4(5)6;/h3H,1-2H3,(H2,5,6);1H3
InChIKeyMTJLFDYEWHNWHL-UHFFFAOYSA-N
XLogP0.65
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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propan-2-yl carbonobromidate
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1-(1-ethoxyethoxy)ethyl carbamate
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(1-fluoro-1-oxopropan-2-yl) carbamate
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3-methoxybutan-2-yl carbamate
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dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791
1-carbamoyloxyethanesulfonic acid
CID 174745548
(3-carbamoyloxy-4-methylpentan-2-yl) carbamate
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Frequently Asked Questions

What is the IUPAC name of azane;propan-2-yl carbamate?
The IUPAC name of azane;propan-2-yl carbamate (CID 172769477) is azane;propan-2-yl carbamate.
What is the SMILES notation for azane;propan-2-yl carbamate?
The canonical SMILES for azane;propan-2-yl carbamate is CC(C)OC(N)=O.N.
What is the InChIKey of azane;propan-2-yl carbamate?
The InChIKey is MTJLFDYEWHNWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.H3N/c1-3(2)7-4(5)6;/h3H,1-2H3,(H2,5,6);1H3.
What are the key properties of azane;propan-2-yl carbamate?
azane;propan-2-yl carbamate has a molecular weight of 120.15 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propan-2-yl carbamate is sourced from PubChem (CID 172769477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).