2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid

C11H17NO3 — CID 166247680

IUPAC2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
SMILESCC1(C(=O)NCC(=O)O)CC2CCC1C2
InChIInChI=1S/C11H17NO3/c1-11(10(15)12-6-9(13)14)5-7-2-3-8(11)4-7/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyJPFWCKJNAYEZPN-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.01
Rot. Bonds3

About 2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid

2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid (PubChem CID 166247680) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
PubChem CID166247680
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
SMILESCC1(C(=O)NCC(=O)O)CC2CCC1C2
InChIInChI=1S/C11H17NO3/c1-11(10(15)12-6-9(13)14)5-7-2-3-8(11)4-7/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyJPFWCKJNAYEZPN-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic 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

(1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 21152855
1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 6427528
(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 98511309
2-[[(1S,2R,4S)-2-benzylbicyclo[2.2.1]heptane-2-carbonyl]amino]acetic acid
CID 125134470
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 154772117
N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 136573300
2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 68999062
(1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98526129
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
(1S,2S,4S)-N-(2-amino-2-oxoethyl)-2-benzylbicyclo[2.2.1]heptane-2-carboxamide
CID 98773407
2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid
CID 135255076

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid (CID 166247680) is 2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid is CC1(C(=O)NCC(=O)O)CC2CCC1C2.
What is the InChIKey of 2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid?
The InChIKey is JPFWCKJNAYEZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(10(15)12-6-9(13)14)5-7-2-3-8(11)4-7/h7-8H,2-6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid?
2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 166247680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).