2-(tert-butylcarbamoylamino)ethyl carbamate

C8H17N3O3 — CID 116657528

IUPAC2-(tert-butylcarbamoylamino)ethyl carbamate
SMILESCC(C)(C)NC(=O)NCCOC(N)=O
InChIInChI=1S/C8H17N3O3/c1-8(2,3)11-7(13)10-4-5-14-6(9)12/h4-5H2,1-3H3,(H2,9,12)(H2,10,11,13)
InChIKeyZJNZPEFEAXLGND-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.18
Rot. Bonds3

About 2-(tert-butylcarbamoylamino)ethyl carbamate

2-(tert-butylcarbamoylamino)ethyl carbamate (PubChem CID 116657528) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(tert-butylcarbamoylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(tert-butylcarbamoylamino)ethyl carbamate
PubChem CID116657528
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-(tert-butylcarbamoylamino)ethyl carbamate
SMILESCC(C)(C)NC(=O)NCCOC(N)=O
InChIInChI=1S/C8H17N3O3/c1-8(2,3)11-7(13)10-4-5-14-6(9)12/h4-5H2,1-3H3,(H2,9,12)(H2,10,11,13)
InChIKeyZJNZPEFEAXLGND-UHFFFAOYSA-N
XLogP0.18
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid
CID 83204394
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
1-tert-butyl-3-[4-(carbamoylamino)butyl]urea
CID 129172648
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
CID 114329061
4-(tert-butylcarbamoylamino)butyl 2,2-dimethylpropanoate
CID 59765877
2-(2-sulfanylpropanoylamino)ethyl carbamate
CID 107034140
2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl carbamate
CID 83209558
2-[(2-amino-2-methylbutanoyl)amino]ethyl carbamate
CID 83211882
N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide
CID 141056869
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylcarbamoylamino)ethyl carbamate?
The IUPAC name of 2-(tert-butylcarbamoylamino)ethyl carbamate (CID 116657528) is 2-(tert-butylcarbamoylamino)ethyl carbamate.
What is the SMILES notation for 2-(tert-butylcarbamoylamino)ethyl carbamate?
The canonical SMILES for 2-(tert-butylcarbamoylamino)ethyl carbamate is CC(C)(C)NC(=O)NCCOC(N)=O.
What is the InChIKey of 2-(tert-butylcarbamoylamino)ethyl carbamate?
The InChIKey is ZJNZPEFEAXLGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-8(2,3)11-7(13)10-4-5-14-6(9)12/h4-5H2,1-3H3,(H2,9,12)(H2,10,11,13).
What are the key properties of 2-(tert-butylcarbamoylamino)ethyl carbamate?
2-(tert-butylcarbamoylamino)ethyl carbamate has a molecular weight of 203.24 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylcarbamoylamino)ethyl carbamate is sourced from PubChem (CID 116657528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).