2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid

C20H29N3O3 — CID 122067321

IUPAC2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
SMILESCC(C)N1CCN(c2ccc(C(=O)N(C3CC3)C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-14(2)21-10-12-22(13-11-21)17-6-4-16(5-7-17)19(24)23(18-8-9-18)15(3)20(25)26/h4-7,14-15,18H,8-13H2,1-3H3,(H,25,26)
InChIKeyAIKHJEVKHOZOPJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.29
Rot. Bonds6

About 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid

2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid (PubChem CID 122067321) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
PubChem CID122067321
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
SMILESCC(C)N1CCN(c2ccc(C(=O)N(C3CC3)C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-14(2)21-10-12-22(13-11-21)17-6-4-16(5-7-17)19(24)23(18-8-9-18)15(3)20(25)26/h4-7,14-15,18H,8-13H2,1-3H3,(H,25,26)
InChIKeyAIKHJEVKHOZOPJ-UHFFFAOYSA-N
XLogP2.29
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554676
2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
CID 119203438
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
(2R)-1-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371187
2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 119202765
2-[[4-(4-ethylpiperazin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119359026
3-[(E)-2-cyclopropyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethenyl]phenol
CID 166135511
2-[cyclopropyl-[3-(4-phenylpiperazin-1-yl)propanoyl]amino]propanoic acid
CID 122067296
N-[(2-hydroxycyclopentyl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 111464001
(4-methylsulfanylphenyl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 166135522
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
CID 119367760

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid (CID 122067321) is 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid is CC(C)N1CCN(c2ccc(C(=O)N(C3CC3)C(C)C(=O)O)cc2)CC1.
What is the InChIKey of 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
The InChIKey is AIKHJEVKHOZOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)21-10-12-22(13-11-21)17-6-4-16(5-7-17)19(24)23(18-8-9-18)15(3)20(25)26/h4-7,14-15,18H,8-13H2,1-3H3,(H,25,26).
What are the key properties of 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid has a molecular weight of 359.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 122067321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).