2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid

C15H29N3O3 — CID 61372331

IUPAC2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)N(CCNC(=O)N1CCCC1CC(=O)O)C(C)C
InChIInChI=1S/C15H29N3O3/c1-11(2)17(12(3)4)9-7-16-15(21)18-8-5-6-13(18)10-14(19)20/h11-13H,5-10H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyYENDGCCWKIHTIQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.75
Rot. Bonds7

About 2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61372331) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID61372331
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)N(CCNC(=O)N1CCCC1CC(=O)O)C(C)C
InChIInChI=1S/C15H29N3O3/c1-11(2)17(12(3)4)9-7-16-15(21)18-8-5-6-13(18)10-14(19)20/h11-13H,5-10H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyYENDGCCWKIHTIQ-UHFFFAOYSA-N
XLogP1.75
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62978547
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61372720
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371746
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61203013
2-[1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 79350157
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61478764
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid (CID 61372331) is 2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid is CC(C)N(CCNC(=O)N1CCCC1CC(=O)O)C(C)C.
What is the InChIKey of 2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is YENDGCCWKIHTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11(2)17(12(3)4)9-7-16-15(21)18-8-5-6-13(18)10-14(19)20/h11-13H,5-10H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 299.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61372331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).