(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid

C22H27N3O3 — CID 119367760

IUPAC(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
SMILESCC(C)N1CCN(c2ccc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-16(2)24-12-14-25(15-13-24)19-10-8-18(9-11-19)21(26)23-20(22(27)28)17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3,(H,23,26)(H,27,28)/t20-/m1/s1
InChIKeyLJBDEWOPVLRZKI-HXUWFJFHSA-N
MW381.48 g/mol
LogP2.77
Rot. Bonds6

About (2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid

(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid (PubChem CID 119367760) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
PubChem CID119367760
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
SMILESCC(C)N1CCN(c2ccc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-16(2)24-12-14-25(15-13-24)19-10-8-18(9-11-19)21(26)23-20(22(27)28)17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3,(H,23,26)(H,27,28)/t20-/m1/s1
InChIKeyLJBDEWOPVLRZKI-HXUWFJFHSA-N
XLogP2.77
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
(2R)-4-methyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]pentanoic acid
CID 119363797
N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide
CID 91782479
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-2-phenylacetic acid
CID 154743598
N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732588
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110302002
4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119454257
(2R)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 97324118
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 119408955

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid?
The IUPAC name of (2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid (CID 119367760) is (2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid is CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cc2)CC1.
What is the InChIKey of (2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid?
The InChIKey is LJBDEWOPVLRZKI-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)24-12-14-25(15-13-24)19-10-8-18(9-11-19)21(26)23-20(22(27)28)17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3,(H,23,26)(H,27,28)/t20-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid?
(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid has a molecular weight of 381.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119367760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).