ethyl 2-(cyclopropanecarbonylamino)propanoate

C9H15NO3 — CID 58636709

IUPACethyl 2-(cyclopropanecarbonylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)C1CC1
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)6(2)10-8(11)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyVJDXPAAFWFJYQN-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.46
Rot. Bonds4

About ethyl 2-(cyclopropanecarbonylamino)propanoate

ethyl 2-(cyclopropanecarbonylamino)propanoate (PubChem CID 58636709) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 2-(cyclopropanecarbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropanecarbonylamino)propanoate
PubChem CID58636709
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 2-(cyclopropanecarbonylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)C1CC1
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)6(2)10-8(11)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyVJDXPAAFWFJYQN-UHFFFAOYSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-[[(1R,3S)-3-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 52517363
ethyl (2R)-2-[[2-(cyclopropanecarbonylamino)acetyl]amino]propanoate
CID 94200698
pentyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 20836661
tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate
CID 20836982
tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate
CID 20836864
tridecyl (2S)-2-(cyclobutanecarbonylamino)propanoate
CID 20836869
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950
heptyl 2-(cyclohexanecarbonylamino)propanoate
CID 6420545
ethane;ethyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-oxobutanoate
CID 142190592
N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropanecarbonylamino)propanoate?
The IUPAC name of ethyl 2-(cyclopropanecarbonylamino)propanoate (CID 58636709) is ethyl 2-(cyclopropanecarbonylamino)propanoate.
What is the SMILES notation for ethyl 2-(cyclopropanecarbonylamino)propanoate?
The canonical SMILES for ethyl 2-(cyclopropanecarbonylamino)propanoate is CCOC(=O)C(C)NC(=O)C1CC1.
What is the InChIKey of ethyl 2-(cyclopropanecarbonylamino)propanoate?
The InChIKey is VJDXPAAFWFJYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-9(12)6(2)10-8(11)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-(cyclopropanecarbonylamino)propanoate?
ethyl 2-(cyclopropanecarbonylamino)propanoate has a molecular weight of 185.22 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropanecarbonylamino)propanoate is sourced from PubChem (CID 58636709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).