2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium

C12H22N2O6 — CID 103596200

IUPAC2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H]([NH3+])C1.O=C([O-])C(=O)O
InChIInChI=1S/C10H20N2O2.C2H2O4/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8;3-1(4)2(5)6/h7-8H,4-6,11H2,1-3H3,(H,12,13);(H,3,4)(H,5,6)/t7-,8+;/m0./s1
InChIKeyRPAYXXHMFDTHSG-KZYPOYLOSA-N
MW290.32 g/mol
LogP-1.50
Rot. Bonds1

About 2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium

2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium (PubChem CID 103596200) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium.

Molecular Properties

Compound Name2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium
PubChem CID103596200
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H]([NH3+])C1.O=C([O-])C(=O)O
InChIInChI=1S/C10H20N2O2.C2H2O4/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8;3-1(4)2(5)6/h7-8H,4-6,11H2,1-3H3,(H,12,13);(H,3,4)(H,5,6)/t7-,8+;/m0./s1
InChIKeyRPAYXXHMFDTHSG-KZYPOYLOSA-N
XLogP-1.50
TPSA143.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
CID 150881139
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium?
The IUPAC name of 2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium (CID 103596200) is 2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium.
What is the SMILES notation for 2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium?
The canonical SMILES for 2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium is CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([NH3+])C1.O=C([O-])C(=O)O.
What is the InChIKey of 2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium?
The InChIKey is RPAYXXHMFDTHSG-KZYPOYLOSA-N. The full InChI is InChI=1S/C10H20N2O2.C2H2O4/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8;3-1(4)2(5)6/h7-8H,4-6,11H2,1-3H3,(H,12,13);(H,3,4)(H,5,6)/t7-,8+;/m0./s1.
What are the key properties of 2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium?
2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium has a molecular weight of 290.32 g/mol, XLogP of -1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium is sourced from PubChem (CID 103596200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).