2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid

C19H26N2O6 — CID 142762038

IUPAC2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid
SMILESCC(C)C(O)(C(=O)O)C(Cc1ccc(C(=O)N2CCNCC2)cc1)C(=O)O
InChIInChI=1S/C19H26N2O6/c1-12(2)19(27,18(25)26)15(17(23)24)11-13-3-5-14(6-4-13)16(22)21-9-7-20-8-10-21/h3-6,12,15,20,27H,7-11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyPZVJJEOHPBHDIK-UHFFFAOYSA-N
MW378.43 g/mol
LogP0.45
Rot. Bonds7

About 2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid

2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid (PubChem CID 142762038) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid
PubChem CID142762038
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid
SMILESCC(C)C(O)(C(=O)O)C(Cc1ccc(C(=O)N2CCNCC2)cc1)C(=O)O
InChIInChI=1S/C19H26N2O6/c1-12(2)19(27,18(25)26)15(17(23)24)11-13-3-5-14(6-4-13)16(22)21-9-7-20-8-10-21/h3-6,12,15,20,27H,7-11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyPZVJJEOHPBHDIK-UHFFFAOYSA-N
XLogP0.45
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[[4-(piperazine-1-carbonyl)phenyl]methyl]pent-2-enoic acid
CID 77169878
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
2-[4-(piperazine-1-carbonyl)phenyl]acetonitrile
CID 82179229
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
4-(piperazine-1-carbonyl)benzonitrile;2,2,2-trifluoroacetic acid
CID 22467982
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
dimethyl (Z)-2-[[4-(piperazine-1-carbonyl)phenyl]methyl]-3-propan-2-ylbut-2-enedioate;hydrochloride
CID 66648946
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
N-[4-(piperazine-1-carbonyl)phenyl]propanamide
CID 53215907
4-[[methyl(piperazine-1-carbonyl)amino]methyl]benzoic acid
CID 61405190
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid?
The IUPAC name of 2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid (CID 142762038) is 2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid.
What is the SMILES notation for 2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid?
The canonical SMILES for 2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid is CC(C)C(O)(C(=O)O)C(Cc1ccc(C(=O)N2CCNCC2)cc1)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid?
The InChIKey is PZVJJEOHPBHDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-12(2)19(27,18(25)26)15(17(23)24)11-13-3-5-14(6-4-13)16(22)21-9-7-20-8-10-21/h3-6,12,15,20,27H,7-11H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid?
2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid has a molecular weight of 378.43 g/mol, XLogP of 0.45, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[4-(piperazine-1-carbonyl)phenyl]methyl]-2-propan-2-ylbutanedioic acid is sourced from PubChem (CID 142762038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).