2-(carbamoylamino)ethyl 2-chloroacetate

C5H9ClN2O3 — CID 21179128

IUPAC2-(carbamoylamino)ethyl 2-chloroacetate
SMILESNC(=O)NCCOC(=O)CCl
InChIInChI=1S/C5H9ClN2O3/c6-3-4(9)11-2-1-8-5(7)10/h1-3H2,(H3,7,8,10)
InChIKeyQXRYFPSVOHHZHQ-UHFFFAOYSA-N
MW180.59 g/mol
LogP-0.56
Rot. Bonds4

About 2-(carbamoylamino)ethyl 2-chloroacetate

2-(carbamoylamino)ethyl 2-chloroacetate (PubChem CID 21179128) has the molecular formula C5H9ClN2O3 and a molecular weight of 180.59 g/mol. Its IUPAC name is 2-(carbamoylamino)ethyl 2-chloroacetate.

Molecular Properties

Compound Name2-(carbamoylamino)ethyl 2-chloroacetate
PubChem CID21179128
Molecular FormulaC5H9ClN2O3
Molecular Weight180.59 g/mol
Exact Mass180.03
IUPAC Name2-(carbamoylamino)ethyl 2-chloroacetate
SMILESNC(=O)NCCOC(=O)CCl
InChIInChI=1S/C5H9ClN2O3/c6-3-4(9)11-2-1-8-5(7)10/h1-3H2,(H3,7,8,10)
InChIKeyQXRYFPSVOHHZHQ-UHFFFAOYSA-N
XLogP-0.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(carbamoylamino)ethyl] oxalate
CID 175560213
3-chloropropylurea
CID 6421120
2-propan-2-yloxyethylurea
CID 22179539
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
2-(carbamoylamino)ethyl hydrogen sulfate
CID 174347909
2-(trifluoromethoxy)ethylurea
CID 131225743
2-(carbamoylamino)ethyl 2,2-dimethylbutanoate
CID 153178486
4-(methylamino)butyl 2-chloroacetate
CID 161447305
2-[2-(2-chloroacetyl)oxyethylsulfonyl]ethyl 2-chloroacetate
CID 25113253
2-(3-oxobutoxy)ethylurea
CID 176664573
3-methoxypropylurea
CID 2064040
(5-chloro-4-oxopentyl)urea
CID 87337319

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)ethyl 2-chloroacetate?
The IUPAC name of 2-(carbamoylamino)ethyl 2-chloroacetate (CID 21179128) is 2-(carbamoylamino)ethyl 2-chloroacetate.
What is the SMILES notation for 2-(carbamoylamino)ethyl 2-chloroacetate?
The canonical SMILES for 2-(carbamoylamino)ethyl 2-chloroacetate is NC(=O)NCCOC(=O)CCl.
What is the InChIKey of 2-(carbamoylamino)ethyl 2-chloroacetate?
The InChIKey is QXRYFPSVOHHZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2O3/c6-3-4(9)11-2-1-8-5(7)10/h1-3H2,(H3,7,8,10).
What are the key properties of 2-(carbamoylamino)ethyl 2-chloroacetate?
2-(carbamoylamino)ethyl 2-chloroacetate has a molecular weight of 180.59 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)ethyl 2-chloroacetate is sourced from PubChem (CID 21179128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).