tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid

C14H24N2O6 — CID 67340995

IUPACtert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid
SMILESCC(C)(C)OC(=O)NC1([C@@H]2CCNC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C12H22N2O2.C2H2O4/c1-11(2,3)16-10(15)14-12(5-6-12)9-4-7-13-8-9;3-1(4)2(5)6/h9,13H,4-8H2,1-3H3,(H,14,15);(H,3,4)(H,5,6)/t9-;/m1./s1
InChIKeyGOUZEQRDMSUUNJ-SBSPUUFOSA-N
MW316.35 g/mol
LogP0.81
Rot. Bonds2

About tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid

tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid (PubChem CID 67340995) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid.

Molecular Properties

Compound Nametert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid
PubChem CID67340995
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Nametert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid
SMILESCC(C)(C)OC(=O)NC1([C@@H]2CCNC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C12H22N2O2.C2H2O4/c1-11(2,3)16-10(15)14-12(5-6-12)9-4-7-13-8-9;3-1(4)2(5)6/h9,13H,4-8H2,1-3H3,(H,14,15);(H,3,4)(H,5,6)/t9-;/m1./s1
InChIKeyGOUZEQRDMSUUNJ-SBSPUUFOSA-N
XLogP0.81
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
CID 59776920
tert-butyl 2-[[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]amino]acetate
CID 68688778
tert-butyl 2-[(1-pyrrolidin-3-ylcyclopropyl)amino]acetate
CID 68688776
tert-butyl N-(1-morpholin-2-ylcyclopropyl)carbamate
CID 175669668
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
CID 138108864
tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate
CID 77301632
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 83679887
tert-butyl N-[(3aS,6aR)-5-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]carbamate
CID 69173106
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid?
The IUPAC name of tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid (CID 67340995) is tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid.
What is the SMILES notation for tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid?
The canonical SMILES for tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid is CC(C)(C)OC(=O)NC1([C@@H]2CCNC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid?
The InChIKey is GOUZEQRDMSUUNJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H22N2O2.C2H2O4/c1-11(2,3)16-10(15)14-12(5-6-12)9-4-7-13-8-9;3-1(4)2(5)6/h9,13H,4-8H2,1-3H3,(H,14,15);(H,3,4)(H,5,6)/t9-;/m1./s1.
What are the key properties of tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid?
tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid has a molecular weight of 316.35 g/mol, XLogP of 0.81, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid is sourced from PubChem (CID 67340995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).