2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid

C12H17ClN2O3 — CID 61009084

IUPAC2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(Cl)cn1CC
InChIInChI=1S/C12H17ClN2O3/c1-3-5-15(8-11(16)17)12(18)10-6-9(13)7-14(10)4-2/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyAYOZDFRWQAYORY-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.10
Rot. Bonds6

About 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid

2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid (PubChem CID 61009084) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid
PubChem CID61009084
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(Cl)cn1CC
InChIInChI=1S/C12H17ClN2O3/c1-3-5-15(8-11(16)17)12(18)10-6-9(13)7-14(10)4-2/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyAYOZDFRWQAYORY-UHFFFAOYSA-N
XLogP2.10
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethyl-4-nitropyrrole-2-carbonyl)-propylamino]acetic acid
CID 61008789
2-[(4-chloro-1-propylpyrrole-2-carbonyl)-prop-2-ynylamino]acetic acid
CID 79273647
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802782
2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid
CID 66121962
2-[carboxymethyl-(1-ethyl-4-nitropyrrole-2-carbonyl)amino]acetic acid
CID 63651687
2-[(3-chloro-4-fluorobenzoyl)-propylamino]acetic acid
CID 82875631
2-[(2-methylpyrazole-3-carbonyl)-propylamino]acetic acid
CID 61006717
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-methylamino]propanoic acid
CID 60989894
4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide
CID 43639498
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 60832442
2-[(3,5-dichloro-2-iodobenzoyl)-propylamino]acetic acid
CID 54898475
methyl 4-[(4-chloro-1-ethylpyrrole-2-carbonyl)-methylamino]butanoate
CID 55006063

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid (CID 61009084) is 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cc(Cl)cn1CC.
What is the InChIKey of 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid?
The InChIKey is AYOZDFRWQAYORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-3-5-15(8-11(16)17)12(18)10-6-9(13)7-14(10)4-2/h6-7H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid?
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid has a molecular weight of 272.73 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 61009084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).