2-[[2-(ethylamino)acetyl]amino]ethyl carbamate

C7H15N3O3 — CID 83211277

IUPAC2-[[2-(ethylamino)acetyl]amino]ethyl carbamate
SMILESCCNCC(=O)NCCOC(N)=O
InChIInChI=1S/C7H15N3O3/c1-2-9-5-6(11)10-3-4-13-7(8)12/h9H,2-5H2,1H3,(H2,8,12)(H,10,11)
InChIKeyQALIYDSGVXNKDS-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.19
Rot. Bonds6

About 2-[[2-(ethylamino)acetyl]amino]ethyl carbamate

2-[[2-(ethylamino)acetyl]amino]ethyl carbamate (PubChem CID 83211277) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[[2-(ethylamino)acetyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-(ethylamino)acetyl]amino]ethyl carbamate
PubChem CID83211277
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name2-[[2-(ethylamino)acetyl]amino]ethyl carbamate
SMILESCCNCC(=O)NCCOC(N)=O
InChIInChI=1S/C7H15N3O3/c1-2-9-5-6(11)10-3-4-13-7(8)12/h9H,2-5H2,1H3,(H2,8,12)(H,10,11)
InChIKeyQALIYDSGVXNKDS-UHFFFAOYSA-N
XLogP-1.19
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.19
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

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)acetamide
CID 106236362
2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate
CID 83210570
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
2-(ethylamino)-N-(2-ethylsulfonylethyl)acetamide
CID 103810362
N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide
CID 146319756
ethyl 2-(2-carbamoyloxyethylamino)acetate
CID 83209785
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
2-[[2-(2-carbamoyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 83204241
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate
CID 83203999
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)acetyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-(ethylamino)acetyl]amino]ethyl carbamate (CID 83211277) is 2-[[2-(ethylamino)acetyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-(ethylamino)acetyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-(ethylamino)acetyl]amino]ethyl carbamate is CCNCC(=O)NCCOC(N)=O.
What is the InChIKey of 2-[[2-(ethylamino)acetyl]amino]ethyl carbamate?
The InChIKey is QALIYDSGVXNKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-2-9-5-6(11)10-3-4-13-7(8)12/h9H,2-5H2,1H3,(H2,8,12)(H,10,11).
What are the key properties of 2-[[2-(ethylamino)acetyl]amino]ethyl carbamate?
2-[[2-(ethylamino)acetyl]amino]ethyl carbamate has a molecular weight of 189.21 g/mol, XLogP of -1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)acetyl]amino]ethyl carbamate is sourced from PubChem (CID 83211277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).