1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid

C18H31N3O7 — CID 22458447

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)OC(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C18H31N3O7/c1-17(2,3)27-15(25)19-10-13(22)20-11-7-8-21(12(9-11)14(23)24)16(26)28-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyHDYWTVXZEIEUBW-UHFFFAOYSA-N
MW401.46 g/mol
LogP1.48
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid (PubChem CID 22458447) has the molecular formula C18H31N3O7 and a molecular weight of 401.46 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid
PubChem CID22458447
Molecular FormulaC18H31N3O7
Molecular Weight401.46 g/mol
Exact Mass401.22
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)OC(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C18H31N3O7/c1-17(2,3)27-15(25)19-10-13(22)20-11-7-8-21(12(9-11)14(23)24)16(26)28-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyHDYWTVXZEIEUBW-UHFFFAOYSA-N
XLogP1.48
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid (CID 22458447) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)OC(C)(C)C)C(C(=O)O)C1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid?
The InChIKey is HDYWTVXZEIEUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O7/c1-17(2,3)27-15(25)19-10-13(22)20-11-7-8-21(12(9-11)14(23)24)16(26)28-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid has a molecular weight of 401.46 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-2-carboxylic acid is sourced from PubChem (CID 22458447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).