2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid

C17H32N2O4 — CID 58038728

IUPAC2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid
SMILESCCN(CC(C)(C)C)C1CCCCC1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C17H32N2O4/c1-5-18(12-17(2,3)4)13-8-6-7-9-14(13)19(10-15(20)21)11-16(22)23/h13-14H,5-12H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyBOLMXONRDFPNDD-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.14
Rot. Bonds8

About 2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid

2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid (PubChem CID 58038728) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid
PubChem CID58038728
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid
SMILESCCN(CC(C)(C)C)C1CCCCC1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C17H32N2O4/c1-5-18(12-17(2,3)4)13-8-6-7-9-14(13)19(10-15(20)21)11-16(22)23/h13-14H,5-12H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyBOLMXONRDFPNDD-UHFFFAOYSA-N
XLogP2.14
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
CID 2723844
2-[ethyl-(2-methylcyclohexyl)amino]acetic acid
CID 65063082
2-[[2-[bis(hydroperoxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
CID 23594176
2-[[2-[carboxymethyl-[2-[carboxymethyl(2-hydroperoxyethyl)amino]cyclohexyl]amino]cyclohexyl]-ethylamino]acetic acid
CID 54265097
2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[(1S,2S)-2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-(carboxymethyl)amino]cyclohexyl]amino]acetic acid
CID 132504331
2-[[(1R,2R)-2-[[2-[2-[[2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetyl]amino]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]cyclohexyl]-(2-oxopropyl)amino]acetic acid
CID 167678704
2-[(2-cyclopentyl-2-methylpropanoyl)-ethylamino]acetic acid
CID 120519682
2-[2-[[(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]ethyl-(2-oxoethyl)amino]acetic acid
CID 166074882
2-[[(1R,2R)-2-[bis[2-(2-hydroxyethylamino)-2-oxoethyl]amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
CID 22853584
N-(2,2-dimethylpropyl)-N-ethylcyclopropanamine
CID 67816379
2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid
CID 80698921
2-[[2-[2-methylprop-2-enyl(2-oxopropyl)amino]cyclohexyl]-pentylamino]acetic acid
CID 156726710

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid (CID 58038728) is 2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid is CCN(CC(C)(C)C)C1CCCCC1N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid?
The InChIKey is BOLMXONRDFPNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-5-18(12-17(2,3)4)13-8-6-7-9-14(13)19(10-15(20)21)11-16(22)23/h13-14H,5-12H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid?
2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid has a molecular weight of 328.45 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid is sourced from PubChem (CID 58038728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).