ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate

C10H16ClNO3 — CID 60949097

IUPACethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CCCl)C1CC1
InChIInChI=1S/C10H16ClNO3/c1-2-15-10(14)7-12(8-3-4-8)9(13)5-6-11/h8H,2-7H2,1H3
InChIKeyIWFRJSYOYADNBC-UHFFFAOYSA-N
MW233.69 g/mol
LogP1.17
Rot. Bonds6

About ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate

ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate (PubChem CID 60949097) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
PubChem CID60949097
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Nameethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CCCl)C1CC1
InChIInChI=1S/C10H16ClNO3/c1-2-15-10(14)7-12(8-3-4-8)9(13)5-6-11/h8H,2-7H2,1H3
InChIKeyIWFRJSYOYADNBC-UHFFFAOYSA-N
XLogP1.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate
CID 79199605
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
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CID 61410290
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
CID 69042060
2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid
CID 61328078
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316
ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
CID 65465117
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
CID 62698175
ethyl 2-[cyclopropyl(2-hydroxyethoxycarbonyl)amino]acetate
CID 79345308
3-chloro-N-cyclopentyl-N-ethylpropanamide
CID 43541097
ethyl 2-[cyclopropyl-[2-(2,6-dichlorophenyl)acetyl]amino]acetate
CID 61410087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate?
The IUPAC name of ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate (CID 60949097) is ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate?
The canonical SMILES for ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate is CCOC(=O)CN(C(=O)CCCl)C1CC1.
What is the InChIKey of ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate?
The InChIKey is IWFRJSYOYADNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3/c1-2-15-10(14)7-12(8-3-4-8)9(13)5-6-11/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate?
ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate has a molecular weight of 233.69 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate is sourced from PubChem (CID 60949097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).