2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate

C9H19N3O3 — CID 83210184

IUPAC2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
SMILESCC(C)NCCC(=O)NCCOC(N)=O
InChIInChI=1S/C9H19N3O3/c1-7(2)11-4-3-8(13)12-5-6-15-9(10)14/h7,11H,3-6H2,1-2H3,(H2,10,14)(H,12,13)
InChIKeyQOIBULNTOCAEMP-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.41
Rot. Bonds7

About 2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate

2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate (PubChem CID 83210184) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
PubChem CID83210184
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
SMILESCC(C)NCCC(=O)NCCOC(N)=O
InChIInChI=1S/C9H19N3O3/c1-7(2)11-4-3-8(13)12-5-6-15-9(10)14/h7,11H,3-6H2,1-2H3,(H2,10,14)(H,12,13)
InChIKeyQOIBULNTOCAEMP-UHFFFAOYSA-N
XLogP-0.41
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide
CID 177062284
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
3-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761146
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908
2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
CID 83210194
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60853066
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932

Frequently Asked Questions

What is the IUPAC name of 2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate?
The IUPAC name of 2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate (CID 83210184) is 2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate.
What is the SMILES notation for 2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate?
The canonical SMILES for 2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate is CC(C)NCCC(=O)NCCOC(N)=O.
What is the InChIKey of 2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate?
The InChIKey is QOIBULNTOCAEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-7(2)11-4-3-8(13)12-5-6-15-9(10)14/h7,11H,3-6H2,1-2H3,(H2,10,14)(H,12,13).
What are the key properties of 2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate?
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate has a molecular weight of 217.27 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate is sourced from PubChem (CID 83210184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).