2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid

C17H28N2O7 — CID 54506612

IUPAC2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)CN1CCN(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C1=O
InChIInChI=1S/C17H28N2O7/c1-16(2,3)25-13(22)10-18-7-8-19(15(24)26-17(4,5)6)11(14(18)23)9-12(20)21/h11H,7-10H2,1-6H3,(H,20,21)/t11-/m0/s1
InChIKeyYGDWMQJYEPTPLA-NSHDSACASA-N
MW372.42 g/mol
LogP1.25
Rot. Bonds4

About 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid

2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 54506612) has the molecular formula C17H28N2O7 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID54506612
Molecular FormulaC17H28N2O7
Molecular Weight372.42 g/mol
Exact Mass372.19
IUPAC Name2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)CN1CCN(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C1=O
InChIInChI=1S/C17H28N2O7/c1-16(2,3)25-13(22)10-18-7-8-19(15(24)26-17(4,5)6)11(14(18)23)9-12(20)21/h11H,7-10H2,1-6H3,(H,20,21)/t11-/m0/s1
InChIKeyYGDWMQJYEPTPLA-NSHDSACASA-N
XLogP1.25
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid with MolForge

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Related Compounds

N,N-diethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53244976
2-[(2R)-1,4-bis[(tert-butoxy)carbonyl]piperazin-2-yl]acetic acid
CID 29942775
1-((Tert-butoxy)carbonyl)-4-methyl-5-oxopiperazine-2-carboxylic acid
CID 130003265
2-[(2S)-1,4-bis[(tert-butoxy)carbonyl]piperazin-2-yl]acetic acid
CID 29942769
4-[3-(Carboxymethyl-methyl-carbamoyl)-propionyl]-piperazine-1-carboxylic acid tert-butyl ester
CID 6420878
2-Carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
CID 2756051
(S)-2-oxopiperazine-1,3-diacetic acid di-t-butyl ester
CID 10568286
tert-Butyl (S)-(3-methoxycarbonylmethyl-2-oxo-piperazin-1-yl)acetate
CID 10636945
tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate
CID 10736086
2-[4-(Carboxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]propanoic acid
CID 19094663
2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid
CID 19094669
4-[2-Methoxycarbonyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 21200199

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid (CID 54506612) is 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid is CC(C)(C)OC(=O)CN1CCN(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C1=O.
What is the InChIKey of 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is YGDWMQJYEPTPLA-NSHDSACASA-N. The full InChI is InChI=1S/C17H28N2O7/c1-16(2,3)25-13(22)10-18-7-8-19(15(24)26-17(4,5)6)11(14(18)23)9-12(20)21/h11H,7-10H2,1-6H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid?
2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 372.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 54506612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).