ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate

C12H21NO3 — CID 103580661

IUPACethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCOC1C1CC1
InChIInChI=1S/C12H21NO3/c1-3-15-12(14)8(2)13-10-6-7-16-11(10)9-4-5-9/h8-11,13H,3-7H2,1-2H3
InChIKeyRIULOIPGUNNMSY-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.10
Rot. Bonds5

About ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate

ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate (PubChem CID 103580661) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate
PubChem CID103580661
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCOC1C1CC1
InChIInChI=1S/C12H21NO3/c1-3-15-12(14)8(2)13-10-6-7-16-11(10)9-4-5-9/h8-11,13H,3-7H2,1-2H3
InChIKeyRIULOIPGUNNMSY-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-Cyclopropyloxolan-3-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 105847662
propan-2-yl (2R)-5-methyl-2-(propan-2-ylamino)hexanoate
CID 126723592
Methyl 2-[2-(oxolan-2-yl)ethylamino]propanoate
CID 61721197
Ethyl 2-[2-(oxolan-2-yl)ethylamino]propanoate
CID 61723947
Propan-2-yl 2-(1-cyclopropylbutan-2-ylamino)acetate
CID 63995524
Butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
CID 63995531
Ethyl 2-(1-cyclopropylbutan-2-ylamino)propanoate
CID 63996534
Propan-2-yl 2-(1-cyclopropylpropan-2-ylamino)acetate
CID 64001436
Methyl 2-[(2-ethyloxan-4-yl)amino]-4-methylpentanoate
CID 64097473
Methyl 4-methyl-2-[(2-propan-2-yloxan-4-yl)amino]pentanoate
CID 64097475
Methyl 4-methyl-2-[(2-propyloxan-4-yl)amino]pentanoate
CID 64097667
methyl (2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-methylbutanoate
CID 64099697

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate (CID 103580661) is ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate is CCOC(=O)C(C)NC1CCOC1C1CC1.
What is the InChIKey of ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate?
The InChIKey is RIULOIPGUNNMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-15-12(14)8(2)13-10-6-7-16-11(10)9-4-5-9/h8-11,13H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate?
ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate has a molecular weight of 227.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyclopropyloxolan-3-yl)amino]propanoate is sourced from PubChem (CID 103580661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).