2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid

C9H13NO4 — CID 59948366

IUPAC2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid
SMILESCC1(C(=O)O)C2CC1C(N)(C(=O)O)C2
InChIInChI=1S/C9H13NO4/c1-8(6(11)12)4-2-5(8)9(10,3-4)7(13)14/h4-5H,2-3,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyMXNSCMDNLJBJML-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.10
Rot. Bonds2

About 2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid

2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid (PubChem CID 59948366) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid
PubChem CID59948366
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid
SMILESCC1(C(=O)O)C2CC1C(N)(C(=O)O)C2
InChIInChI=1S/C9H13NO4/c1-8(6(11)12)4-2-5(8)9(10,3-4)7(13)14/h4-5H,2-3,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyMXNSCMDNLJBJML-UHFFFAOYSA-N
XLogP-0.10
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
7-methylbicyclo[2.2.1]heptane-7-carboxylic acid
CID 58749444
2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide
CID 169432154
(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 98050178
(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889497
(1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid
CID 99995862
trans-(1R,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 121215505
1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid
CID 175481331
trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 43810883
3,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 165386299
(1S,5S,6S)-6-amino-3-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 101429275
trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid
CID 92980128

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid?
The IUPAC name of 2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid (CID 59948366) is 2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid?
The canonical SMILES for 2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid is CC1(C(=O)O)C2CC1C(N)(C(=O)O)C2.
What is the InChIKey of 2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid?
The InChIKey is MXNSCMDNLJBJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-8(6(11)12)4-2-5(8)9(10,3-4)7(13)14/h4-5H,2-3,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid?
2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid has a molecular weight of 199.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylbicyclo[2.1.1]hexane-2,5-dicarboxylic acid is sourced from PubChem (CID 59948366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).