methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate

C12H20N2O3 — CID 119781274

IUPACmethyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C12H20N2O3/c1-6(12(16)17-2)14-11(15)9-7-3-4-8(5-7)10(9)13/h6-10H,3-5,13H2,1-2H3,(H,14,15)/t6-,7?,8?,9?,10?/m1/s1
InChIKeyWRCGUYAZVVBFFZ-VUTZLFHMSA-N
MW240.30 g/mol
LogP0.04
Rot. Bonds3

About methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate

methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate (PubChem CID 119781274) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate
PubChem CID119781274
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C12H20N2O3/c1-6(12(16)17-2)14-11(15)9-7-3-4-8(5-7)10(9)13/h6-10H,3-5,13H2,1-2H3,(H,14,15)/t6-,7?,8?,9?,10?/m1/s1
InChIKeyWRCGUYAZVVBFFZ-VUTZLFHMSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2-Cyclohexylacetyl)amino]propanoylamino]bicyclo[2.2.1]heptane-2-carboxamide
CID 72128880
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64378650
2-[(3-Aminobicyclo[2.2.1]heptane-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258173
2-[(3-Aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798058
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 114127358
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119704727
3-amino-N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378624
methyl (2S)-2-[(2-aminoacetyl)amino]-3-(2-bicyclo[2.2.1]heptanyl)propanoate
CID 70408070
(2R,3S)-3-amino-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
CID 89194525
tert-butyl N-[(1S)-3-carbamoyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 143149974
(1R,2S,3R,4S)-3-amino-N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163395437
(1S,2S,3R,4R)-3-amino-N-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163396043

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate?
The IUPAC name of methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate (CID 119781274) is methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate is COC(=O)[C@@H](C)NC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate?
The InChIKey is WRCGUYAZVVBFFZ-VUTZLFHMSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-6(12(16)17-2)14-11(15)9-7-3-4-8(5-7)10(9)13/h6-10H,3-5,13H2,1-2H3,(H,14,15)/t6-,7?,8?,9?,10?/m1/s1.
What are the key properties of methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate?
methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate has a molecular weight of 240.30 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate is sourced from PubChem (CID 119781274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).