2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid

C15H19FN2O3 — CID 43656451

IUPAC2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
SMILESO=C(O)CN(CCC(=O)Nc1cccc(F)c1)CC1CC1
InChIInChI=1S/C15H19FN2O3/c16-12-2-1-3-13(8-12)17-14(19)6-7-18(10-15(20)21)9-11-4-5-11/h1-3,8,11H,4-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyDQNKWCLOXMKEJR-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.95
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid

2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid (PubChem CID 43656451) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
PubChem CID43656451
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
SMILESO=C(O)CN(CCC(=O)Nc1cccc(F)c1)CC1CC1
InChIInChI=1S/C15H19FN2O3/c16-12-2-1-3-13(8-12)17-14(19)6-7-18(10-15(20)21)9-11-4-5-11/h1-3,8,11H,4-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyDQNKWCLOXMKEJR-UHFFFAOYSA-N
XLogP1.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
CID 90483417
3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide
CID 86885988
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632
3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 107440293
2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 43656602
2-[[2-(3-fluoroanilino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262697
3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
CID 126824367
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid (CID 43656451) is 2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid is O=C(O)CN(CCC(=O)Nc1cccc(F)c1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid?
The InChIKey is DQNKWCLOXMKEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-2-1-3-13(8-12)17-14(19)6-7-18(10-15(20)21)9-11-4-5-11/h1-3,8,11H,4-7,9-10H2,(H,17,19)(H,20,21).
What are the key properties of 2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid is sourced from PubChem (CID 43656451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).