2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid

C12H22N2O4 — CID 79461532

IUPAC2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCC(NCC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-9-5-4-8(6-9)13-7-10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyCUGBFHINOYSOMA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds4

About 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid

2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid (PubChem CID 79461532) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
PubChem CID79461532
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCC(NCC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-9-5-4-8(6-9)13-7-10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyCUGBFHINOYSOMA-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid with MolForge

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Related Compounds

tert-butyl N-[3-[[2-(methylamino)-2-oxoethyl]amino]cyclohexyl]carbamate
CID 79459021
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
CID 150881139
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
CID 79462833
tert-butyl N-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]cyclopentyl]carbamate
CID 106251342

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid?
The IUPAC name of 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid (CID 79461532) is 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid?
The canonical SMILES for 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid is CC(C)(C)OC(=O)NC1CCC(NCC(=O)O)C1.
What is the InChIKey of 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid?
The InChIKey is CUGBFHINOYSOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-9-5-4-8(6-9)13-7-10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid?
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid is sourced from PubChem (CID 79461532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).