2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid

C15H21N3O3 — CID 62487324

IUPAC2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid
SMILESCN1CCN(C(=O)NC(C)(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20,12-6-4-3-5-7-12)16-14(21)18-10-8-17(2)9-11-18/h3-7H,8-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyOBPRHVDJDCUXAG-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.94
Rot. Bonds3

About 2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid

2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 62487324) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID62487324
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid
SMILESCN1CCN(C(=O)NC(C)(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20,12-6-4-3-5-7-12)16-14(21)18-10-8-17(2)9-11-18/h3-7H,8-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyOBPRHVDJDCUXAG-UHFFFAOYSA-N
XLogP0.94
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62942680
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide
CID 110469745
4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide
CID 138053774
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
N-(1,2-diphenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 67926030
benzoic acid;1,4-dimethylpiperazine
CID 166460840
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid
CID 65464716
2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
CID 62270100

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid (CID 62487324) is 2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid is CN1CCN(C(=O)NC(C)(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is OBPRHVDJDCUXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(13(19)20,12-6-4-3-5-7-12)16-14(21)18-10-8-17(2)9-11-18/h3-7H,8-11H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid?
2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 291.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62487324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).