3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid

C16H22N2O3 — CID 104548206

IUPAC3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
SMILESCNCCc1ccccc1C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-17-9-8-11-4-2-3-5-13(11)16(21)18-14(10-15(19)20)12-6-7-12/h2-5,12,14,17H,6-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyHCFFBQUVYCRSRL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.43
Rot. Bonds8

About 3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid

3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid (PubChem CID 104548206) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
PubChem CID104548206
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
SMILESCNCCc1ccccc1C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-17-9-8-11-4-2-3-5-13(11)16(21)18-14(10-15(19)20)12-6-7-12/h2-5,12,14,17H,6-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyHCFFBQUVYCRSRL-UHFFFAOYSA-N
XLogP1.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104548036
3-cyclopropyl-3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343445
2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid
CID 104547663
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
CID 107222500
3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid
CID 81362646
N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104548247
2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104547660
2-[[2-[2-(methylamino)ethyl]benzoyl]amino]pent-4-enoic acid
CID 104548190
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
N-(cyclohexylmethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547420

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid (CID 104548206) is 3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid is CNCCc1ccccc1C(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
The InChIKey is HCFFBQUVYCRSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17-9-8-11-4-2-3-5-13(11)16(21)18-14(10-15(19)20)12-6-7-12/h2-5,12,14,17H,6-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid?
3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 104548206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).