2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid

C15H27NO4 — CID 65066014

IUPAC2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
SMILESCCC(C)(C)C1CCC(N(CC(=O)O)CC(=O)O)CC1
InChIInChI=1S/C15H27NO4/c1-4-15(2,3)11-5-7-12(8-6-11)16(9-13(17)18)10-14(19)20/h11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyJGNFYFRAOWHWPW-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.45
Rot. Bonds7

About 2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid

2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid (PubChem CID 65066014) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
PubChem CID65066014
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
SMILESCCC(C)(C)C1CCC(N(CC(=O)O)CC(=O)O)CC1
InChIInChI=1S/C15H27NO4/c1-4-15(2,3)11-5-7-12(8-6-11)16(9-13(17)18)10-14(19)20/h11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyJGNFYFRAOWHWPW-UHFFFAOYSA-N
XLogP2.45
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid (CID 65066014) is 2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid is CCC(C)(C)C1CCC(N(CC(=O)O)CC(=O)O)CC1.
What is the InChIKey of 2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid?
The InChIKey is JGNFYFRAOWHWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-15(2,3)11-5-7-12(8-6-11)16(9-13(17)18)10-14(19)20/h11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid?
2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid has a molecular weight of 285.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid is sourced from PubChem (CID 65066014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).