ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride

C10H15ClN2O2 — CID 172819614

IUPACethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
SMILESCCOC(=O)CCNc1cccnc1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-2-14-10(13)5-7-12-9-4-3-6-11-8-9;/h3-4,6,8,12H,2,5,7H2,1H3;1H
InChIKeyUAVCQAOUVIIIOC-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.87
Rot. Bonds5

About ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride

ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride (PubChem CID 172819614) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
PubChem CID172819614
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC Nameethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
SMILESCCOC(=O)CCNc1cccnc1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-2-14-10(13)5-7-12-9-4-3-6-11-8-9;/h3-4,6,8,12H,2,5,7H2,1H3;1H
InChIKeyUAVCQAOUVIIIOC-UHFFFAOYSA-N
XLogP1.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-anilinopropanoate
CID 10910393
ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061
aniline;ethyl 3-anilinopropanoate
CID 158808649
ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide
CID 145197968
ethyl 3-(4-methylanilino)propanoate
CID 23052674
ethyl 3-(3-ethylanilino)propanoate
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ethyl 3-(3-carbamoylanilino)propanoate
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ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate
CID 82316783
ethyl 3-[(2-chloro-3-pyridinyl)amino]propanoate
CID 82316667
ethyl N-[(pyridin-3-ylamino)methylsulfonyl]carbamate
CID 166523111
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride?
The IUPAC name of ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride (CID 172819614) is ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride?
The canonical SMILES for ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride is CCOC(=O)CCNc1cccnc1.Cl.
What is the InChIKey of ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride?
The InChIKey is UAVCQAOUVIIIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-2-14-10(13)5-7-12-9-4-3-6-11-8-9;/h3-4,6,8,12H,2,5,7H2,1H3;1H.
What are the key properties of ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride?
ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride is sourced from PubChem (CID 172819614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).