methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate

C14H21ClN2O3 — CID 61010166

IUPACmethyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate
SMILESCCCn1cc(Cl)cc1C(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C14H21ClN2O3/c1-4-7-17-10-11(15)9-12(17)14(19)16(5-2)8-6-13(18)20-3/h9-10H,4-8H2,1-3H3
InChIKeyCMDAJFIBZKKXSL-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.58
Rot. Bonds7

About methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate

methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate (PubChem CID 61010166) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate
PubChem CID61010166
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Namemethyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate
SMILESCCCn1cc(Cl)cc1C(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C14H21ClN2O3/c1-4-7-17-10-11(15)9-12(17)14(19)16(5-2)8-6-13(18)20-3/h9-10H,4-8H2,1-3H3
InChIKeyCMDAJFIBZKKXSL-UHFFFAOYSA-N
XLogP2.58
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-1-propylpyrrole-2-carbonyl)-methylamino]propanoic acid
CID 60989894
N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 61448259
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 60832442
methyl 4-[(4-chloro-1-ethylpyrrole-2-carbonyl)-methylamino]butanoate
CID 55006063
methyl 3-[(3-chloro-5-methylbenzoyl)-ethylamino]propanoate
CID 80973104
2-[(4-chloro-1-propylpyrrole-2-carbonyl)-prop-2-ynylamino]acetic acid
CID 79273647
4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639804
methyl 3-[(3,5-dichloro-2-iodobenzoyl)-ethylamino]propanoate
CID 61010031
methyl 4-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]butanoate
CID 60954961
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 79381001
4-bromo-N-ethyl-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 113468701

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate?
The IUPAC name of methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate (CID 61010166) is methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate is CCCn1cc(Cl)cc1C(=O)N(CC)CCC(=O)OC.
What is the InChIKey of methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate?
The InChIKey is CMDAJFIBZKKXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-4-7-17-10-11(15)9-12(17)14(19)16(5-2)8-6-13(18)20-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate?
methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate has a molecular weight of 300.79 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate is sourced from PubChem (CID 61010166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).