benzyl 2-(cyclopropanecarbonylamino)acetate

C13H15NO3 — CID 26878245

IUPACbenzyl 2-(cyclopropanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CC1)OCc1ccccc1
InChIInChI=1S/C13H15NO3/c15-12(8-14-13(16)11-6-7-11)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16)
InChIKeyQWXPQGMDKMIKTF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.26
Rot. Bonds5

About benzyl 2-(cyclopropanecarbonylamino)acetate

benzyl 2-(cyclopropanecarbonylamino)acetate (PubChem CID 26878245) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is benzyl 2-(cyclopropanecarbonylamino)acetate.

Molecular Properties

Compound Namebenzyl 2-(cyclopropanecarbonylamino)acetate
PubChem CID26878245
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namebenzyl 2-(cyclopropanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CC1)OCc1ccccc1
InChIInChI=1S/C13H15NO3/c15-12(8-14-13(16)11-6-7-11)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16)
InChIKeyQWXPQGMDKMIKTF-UHFFFAOYSA-N
XLogP1.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
CID 8662028
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate
CID 27286619
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]acetate
CID 39908237
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
benzyl 3-[3-[[4-[2-(3-oxo-3-phenylmethoxypropoxy)ethylcarbamoyl]cycloheptanecarbonyl]amino]propoxy]propanoate
CID 139298687
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418
benzyl 2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]acetate
CID 26262954
benzyl 2-[[(1S)-2-cyclopropyl-3-oxo-1H-isoindole-1-carbonyl]amino]acetate
CID 94828218
benzyl 2-(piperidin-4-ylamino)acetate
CID 19853378

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(cyclopropanecarbonylamino)acetate?
The IUPAC name of benzyl 2-(cyclopropanecarbonylamino)acetate (CID 26878245) is benzyl 2-(cyclopropanecarbonylamino)acetate.
What is the SMILES notation for benzyl 2-(cyclopropanecarbonylamino)acetate?
The canonical SMILES for benzyl 2-(cyclopropanecarbonylamino)acetate is O=C(CNC(=O)C1CC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(cyclopropanecarbonylamino)acetate?
The InChIKey is QWXPQGMDKMIKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(8-14-13(16)11-6-7-11)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16).
What are the key properties of benzyl 2-(cyclopropanecarbonylamino)acetate?
benzyl 2-(cyclopropanecarbonylamino)acetate has a molecular weight of 233.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(cyclopropanecarbonylamino)acetate is sourced from PubChem (CID 26878245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).