ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate

C12H22N2O4 — CID 103603734

IUPACethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCCOCC1CC1
InChIInChI=1S/C12H22N2O4/c1-2-18-11(15)8-14-12(16)13-6-3-7-17-9-10-4-5-10/h10H,2-9H2,1H3,(H2,13,14,16)
InChIKeyZWHPNFDUMBNPJI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.67
Rot. Bonds9

About ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate

ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate (PubChem CID 103603734) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate
PubChem CID103603734
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCCOCC1CC1
InChIInChI=1S/C12H22N2O4/c1-2-18-11(15)8-14-12(16)13-6-3-7-17-9-10-4-5-10/h10H,2-9H2,1H3,(H2,13,14,16)
InChIKeyZWHPNFDUMBNPJI-UHFFFAOYSA-N
XLogP0.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]butanoate
CID 111390553
2-[3-(cyclopropylmethoxy)propylcarbamoylamino]-2-methylpropanoic acid
CID 113363068
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
ethyl 4-[[[3-(cyclopropylmethoxy)propylamino]-(ethylamino)methylidene]amino]butanoate;hydroiodide
CID 111392766
2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide
CID 62854201
3-amino-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 114098055
2-[3-(cyclopropylmethoxy)propylcarbamoylamino]butanoic acid
CID 103994493
ethyl 2-(3-ethoxypropylcarbamothioylamino)acetate
CID 116507543
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
2-amino-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]acetamide
CID 60847429
1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 47133545

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate (CID 103603734) is ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCCOCC1CC1.
What is the InChIKey of ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate?
The InChIKey is ZWHPNFDUMBNPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-18-11(15)8-14-12(16)13-6-3-7-17-9-10-4-5-10/h10H,2-9H2,1H3,(H2,13,14,16).
What are the key properties of ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate?
ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate has a molecular weight of 258.32 g/mol, XLogP of 0.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate is sourced from PubChem (CID 103603734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).