2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid

C14H24N2O5 — CID 11301034

IUPAC2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid
SMILESCCC[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-5-6-10-12(19)15(9-11(17)18)7-8-16(10)13(20)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,17,18)/t10-/m0/s1
InChIKeyPFMDPZNEIUVVRE-JTQLQIEISA-N
MW300.35 g/mol
LogP1.32
Rot. Bonds4

About 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid

2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid (PubChem CID 11301034) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid
PubChem CID11301034
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Name2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid
SMILESCCC[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-5-6-10-12(19)15(9-11(17)18)7-8-16(10)13(20)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,17,18)/t10-/m0/s1
InChIKeyPFMDPZNEIUVVRE-JTQLQIEISA-N
XLogP1.32
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopyrrolidin-2-yl]acetic acid
CID 82386519
tert-butyl 4-methyl-3-oxo-2-[2-(trifluoromethoxy)ethyl]piperazine-1-carboxylate
CID 178039623
tert-butyl (2S)-2-ethyl-3-oxopyrrolidine-1-carboxylate
CID 96612564
tert-butyl 2-ethyl-3-oxopyrrolidine-1-carboxylate
CID 82394195
tert-butyl (2R)-2-(hydroxymethyl)-3-oxo-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate
CID 66999588
benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-oxopiperazine-1-carboxylate
CID 10694128
2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,6-diazabicyclo[3.1.1]heptan-3-yl]acetic acid
CID 84809114
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051
tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
CID 70242311
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-propylpyrrolidine-1-carboxylate
CID 11085987
tert-butyl 2-bromo-7-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 141466136
tert-butyl 3-iodo-2-oxopyrrolidine-1-carboxylate
CID 156755217

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid (CID 11301034) is 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid is CCC[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid?
The InChIKey is PFMDPZNEIUVVRE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N2O5/c1-5-6-10-12(19)15(9-11(17)18)7-8-16(10)13(20)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid?
2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid has a molecular weight of 300.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-propylpiperazin-1-yl]acetic acid is sourced from PubChem (CID 11301034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).