3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid

C13H24N2O5 — CID 175605638

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid
SMILESCC(C)OC1CN(C(=O)O)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-8(2)19-10-7-15(12(17)18)6-9(10)14-11(16)20-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,16)(H,17,18)
InChIKeyPYQTYFDRGOYWEZ-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.67
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid (PubChem CID 175605638) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid
PubChem CID175605638
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid
SMILESCC(C)OC1CN(C(=O)O)CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-8(2)19-10-7-15(12(17)18)6-9(10)14-11(16)20-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,16)(H,17,18)
InChIKeyPYQTYFDRGOYWEZ-UHFFFAOYSA-N
XLogP1.67
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-prop-2-enoxypyrrolidine-1-carboxylic acid
CID 67286151
(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylic acid
CID 68804723
(3R)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 175542895
3-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]azetidine-1-carboxylic acid
CID 141430823
(3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 91362762
4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 67130134
4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid
CID 87497220
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 139434729
tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
CID 146600918
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]cyclopentyl]carbamate
CID 107243876

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid (CID 175605638) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid is CC(C)OC1CN(C(=O)O)CC1NC(=O)OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid?
The InChIKey is PYQTYFDRGOYWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-8(2)19-10-7-15(12(17)18)6-9(10)14-11(16)20-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid has a molecular weight of 288.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175605638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).