(2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid

C16H23N3O4 — CID 68909215

IUPAC(2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid
SMILESCOCNC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)O)[C@H](C)C1
InChIInChI=1S/C16H23N3O4/c1-12-10-18(8-9-19(12)16(21)22)14(15(20)17-11-23-2)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,20)(H,21,22)/t12-,14-/m1/s1
InChIKeyQDZDYXBBNFBIBL-TZMCWYRMSA-N
MW321.38 g/mol
LogP1.13
Rot. Bonds5

About (2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid

(2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid (PubChem CID 68909215) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid
PubChem CID68909215
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name(2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid
SMILESCOCNC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)O)[C@H](C)C1
InChIInChI=1S/C16H23N3O4/c1-12-10-18(8-9-19(12)16(21)22)14(15(20)17-11-23-2)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,20)(H,21,22)/t12-,14-/m1/s1
InChIKeyQDZDYXBBNFBIBL-TZMCWYRMSA-N
XLogP1.13
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid
CID 68913078
(2R)-2-methyl-4-[(1S)-1-phenyl-2-(prop-2-enoxycarbonylamino)ethyl]piperazine-1-carboxylic acid
CID 68909428
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide
CID 63568815
2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide
CID 63584652
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
CID 95155180
4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 175741805
N-(3-cyclopentylpropyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56510051
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of (2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid (CID 68909215) is (2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid is COCNC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)O)[C@H](C)C1.
What is the InChIKey of (2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid?
The InChIKey is QDZDYXBBNFBIBL-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-12-10-18(8-9-19(12)16(21)22)14(15(20)17-11-23-2)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,20)(H,21,22)/t12-,14-/m1/s1.
What are the key properties of (2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid?
(2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1R)-2-(methoxymethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 68909215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).