2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid

C17H30N2O6 — CID 147199567

IUPAC2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid
SMILESCC(C)C(=O)CN(CCN(CC(=O)O)CC(=O)C(C)(C)C)CC(=O)O
InChIInChI=1S/C17H30N2O6/c1-12(2)13(20)8-18(10-15(22)23)6-7-19(11-16(24)25)9-14(21)17(3,4)5/h12H,6-11H2,1-5H3,(H,22,23)(H,24,25)
InChIKeyCDAWHMDMPIJNQJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.60
Rot. Bonds12

About 2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid

2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid (PubChem CID 147199567) has the molecular formula C17H30N2O6 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid
PubChem CID147199567
Molecular FormulaC17H30N2O6
Molecular Weight358.44 g/mol
Exact Mass358.21
IUPAC Name2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid
SMILESCC(C)C(=O)CN(CCN(CC(=O)O)CC(=O)C(C)(C)C)CC(=O)O
InChIInChI=1S/C17H30N2O6/c1-12(2)13(20)8-18(10-15(22)23)6-7-19(11-16(24)25)9-14(21)17(3,4)5/h12H,6-11H2,1-5H3,(H,22,23)(H,24,25)
InChIKeyCDAWHMDMPIJNQJ-UHFFFAOYSA-N
XLogP0.60
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid with MolForge

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Related Compounds

2-[[[bis(carboxymethyl)amino]methyl-(3,3-dimethyl-2-oxobutyl)amino]methyl-(carboxymethyl)amino]acetic acid
CID 89143910
2-[2-[2-[bis(formyloxymethyl)amino]ethyl-(formyloxymethyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid
CID 170530791
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
1-[2-[bis(3,3-dimethyl-2-oxobutyl)amino]ethyl-[2-[(3,3-dimethyl-2-oxobutyl)-(2-oxobutyl)amino]ethyl]amino]-3,3-dimethylbutan-2-one
CID 146264409
2-[(3,3-dimethyl-2-oxobutyl)-[3-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]amino]acetic acid
CID 121480428
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
lithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 56942126

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid (CID 147199567) is 2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid is CC(C)C(=O)CN(CCN(CC(=O)O)CC(=O)C(C)(C)C)CC(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid?
The InChIKey is CDAWHMDMPIJNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O6/c1-12(2)13(20)8-18(10-15(22)23)6-7-19(11-16(24)25)9-14(21)17(3,4)5/h12H,6-11H2,1-5H3,(H,22,23)(H,24,25).
What are the key properties of 2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid?
2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid has a molecular weight of 358.44 g/mol, XLogP of 0.60, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl-(3,3-dimethyl-2-oxobutyl)amino]ethyl-(3-methyl-2-oxobutyl)amino]acetic acid is sourced from PubChem (CID 147199567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).