2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid

C16H27N3O6 — CID 6420736

IUPAC2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CCCC(=O)NCC(=O)O)CC1
InChIInChI=1S/C16H27N3O6/c1-16(2,3)25-15(24)19-9-7-18(8-10-19)13(21)6-4-5-12(20)17-11-14(22)23/h4-11H2,1-3H3,(H,17,20)(H,22,23)
InChIKeyRGCMPCBZZBHMCT-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.44
Rot. Bonds6

About 2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid

2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid (PubChem CID 6420736) has the molecular formula C16H27N3O6 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid
PubChem CID6420736
Molecular FormulaC16H27N3O6
Molecular Weight357.41 g/mol
Exact Mass357.19
IUPAC Name2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CCCC(=O)NCC(=O)O)CC1
InChIInChI=1S/C16H27N3O6/c1-16(2,3)25-15(24)19-9-7-18(8-10-19)13(21)6-4-5-12(20)17-11-14(22)23/h4-11H2,1-3H3,(H,17,20)(H,22,23)
InChIKeyRGCMPCBZZBHMCT-UHFFFAOYSA-N
XLogP0.44
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid with MolForge

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Related Compounds

2-(((2S)-1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)formamido)acetic acid
CID 7019896
2-(3-(((Tert-butoxy)carbonyl)amino)-2-oxopiperidin-1-yl)acetic acid
CID 19352050
2-[(3S,6S)-6-(fluoromethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 70077980
2-(2-{[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]formamido}acetamido)acetic acid
CID 129819442
Tert-butyloxycarbonyl-aminocaproyl-glycylglycine
CID 155490453
4-[3-(Carboxymethyl-carbamoyl)-propionyl]-piperazine-1-carboxylic acid, tert-butyl ester
CID 6420751
1-Boc-D-prolyl-glycine
CID 7019878
(S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid
CID 10778571
tert-butyl 2-[(3S)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxopiperazin-1-yl]acetate
CID 11111477
tert-Butyl (S)-2-{[(S)-1-((S)-1-carboxy-ethylcarbamoyl)-ethyl]-methyl-carbamoyl}-pyrrolidine-1-carboxylate
CID 12072645
2-({1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}formamido)acetic acid
CID 14375840
Boc-Gln-Gly-OH
CID 15479681

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid?
The IUPAC name of 2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid (CID 6420736) is 2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid is CC(C)(C)OC(=O)N1CCN(C(=O)CCCC(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid?
The InChIKey is RGCMPCBZZBHMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O6/c1-16(2,3)25-15(24)19-9-7-18(8-10-19)13(21)6-4-5-12(20)17-11-14(22)23/h4-11H2,1-3H3,(H,17,20)(H,22,23).
What are the key properties of 2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid?
2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopentanoyl]amino]acetic acid is sourced from PubChem (CID 6420736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).