2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid

C8H14N2O4 — CID 18343210

IUPAC2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid
SMILESCNCC1C(C(=O)O)C1C(N)C(=O)O
InChIInChI=1S/C8H14N2O4/c1-10-2-3-4(5(3)7(11)12)6(9)8(13)14/h3-6,10H,2,9H2,1H3,(H,11,12)(H,13,14)
InChIKeyVAKBRKMBXTVTDK-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.44
Rot. Bonds5

About 2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid

2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid (PubChem CID 18343210) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid
PubChem CID18343210
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid
SMILESCNCC1C(C(=O)O)C1C(N)C(=O)O
InChIInChI=1S/C8H14N2O4/c1-10-2-3-4(5(3)7(11)12)6(9)8(13)14/h3-6,10H,2,9H2,1H3,(H,11,12)(H,13,14)
InChIKeyVAKBRKMBXTVTDK-UHFFFAOYSA-N
XLogP-1.44
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid (CID 18343210) is 2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid is CNCC1C(C(=O)O)C1C(N)C(=O)O.
What is the InChIKey of 2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid?
The InChIKey is VAKBRKMBXTVTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-10-2-3-4(5(3)7(11)12)6(9)8(13)14/h3-6,10H,2,9H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid?
2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -1.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(carboxy)methyl]-3-(methylaminomethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 18343210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).