2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate

C6H13N3O3 — CID 83211096

IUPAC2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
SMILESCC(NCCOC(N)=O)C(N)=O
InChIInChI=1S/C6H13N3O3/c1-4(5(7)10)9-2-3-12-6(8)11/h4,9H,2-3H2,1H3,(H2,7,10)(H2,8,11)
InChIKeyFUWFTHXLXPMLGX-UHFFFAOYSA-N
MW175.19 g/mol
LogP-1.45
Rot. Bonds5

About 2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate

2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate (PubChem CID 83211096) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
PubChem CID83211096
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
SMILESCC(NCCOC(N)=O)C(N)=O
InChIInChI=1S/C6H13N3O3/c1-4(5(7)10)9-2-3-12-6(8)11/h4,9H,2-3H2,1H3,(H2,7,10)(H2,8,11)
InChIKeyFUWFTHXLXPMLGX-UHFFFAOYSA-N
XLogP-1.45
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.45
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

2-(2-carbamoyloxyethylamino)propanoic acid
CID 83210628
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83211432
2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
CID 83210164
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
2-(2-aminoethylamino)propanamide
CID 20551229
2-(propylamino)propanamide
CID 43086178
(2S)-2-(propylamino)propanamide
CID 28835957
2-(3-methylbutylamino)propanamide
CID 43086017
2-(3-hydroxypropylamino)propanamide
CID 43392787
2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate
CID 83211737

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate (CID 83211096) is 2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate is CC(NCCOC(N)=O)C(N)=O.
What is the InChIKey of 2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate?
The InChIKey is FUWFTHXLXPMLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-4(5(7)10)9-2-3-12-6(8)11/h4,9H,2-3H2,1H3,(H2,7,10)(H2,8,11).
What are the key properties of 2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate?
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate has a molecular weight of 175.19 g/mol, XLogP of -1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate is sourced from PubChem (CID 83211096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).