2-[(2-aminoacetyl)-dodecoxyamino]acetic acid

C16H32N2O4 — CID 87759441

IUPAC2-[(2-aminoacetyl)-dodecoxyamino]acetic acid
SMILESCCCCCCCCCCCCON(CC(=O)O)C(=O)CN
InChIInChI=1S/C16H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-22-18(14-16(20)21)15(19)13-17/h2-14,17H2,1H3,(H,20,21)
InChIKeyQOHFXVDGCNQCKY-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.71
Rot. Bonds15

About 2-[(2-aminoacetyl)-dodecoxyamino]acetic acid

2-[(2-aminoacetyl)-dodecoxyamino]acetic acid (PubChem CID 87759441) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-dodecoxyamino]acetic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-dodecoxyamino]acetic acid
PubChem CID87759441
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name2-[(2-aminoacetyl)-dodecoxyamino]acetic acid
SMILESCCCCCCCCCCCCON(CC(=O)O)C(=O)CN
InChIInChI=1S/C16H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-22-18(14-16(20)21)15(19)13-17/h2-14,17H2,1H3,(H,20,21)
InChIKeyQOHFXVDGCNQCKY-UHFFFAOYSA-N
XLogP2.71
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N-octoxyanilino)acetic acid
CID 54571565
triheptacontyl hydrogen carbonate
CID 142754463
heptaheptacontyl hydrogen carbonate
CID 162768324
2-[hexyl(methyl)amino]acetic acid
CID 10197909
azane;nonyl hydrogen carbonate
CID 175306231
N-(2-aminoacetyl)-N-octanoyloctanamide
CID 175927090
2-[(2-methylpropan-2-yl)oxy-propanoylamino]acetic acid
CID 87737931
octyl propanoate;propanoic acid
CID 87090257
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
2-[bis(4-oxo-4-pentoxybutyl)amino]acetic acid
CID 129286239
2-aminoacetic acid;hexadecyl (2S)-2-amino-3-hydroxypropanoate
CID 174820028
ditridecyl oxalate
CID 18377796

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-dodecoxyamino]acetic acid?
The IUPAC name of 2-[(2-aminoacetyl)-dodecoxyamino]acetic acid (CID 87759441) is 2-[(2-aminoacetyl)-dodecoxyamino]acetic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)-dodecoxyamino]acetic acid?
The canonical SMILES for 2-[(2-aminoacetyl)-dodecoxyamino]acetic acid is CCCCCCCCCCCCON(CC(=O)O)C(=O)CN.
What is the InChIKey of 2-[(2-aminoacetyl)-dodecoxyamino]acetic acid?
The InChIKey is QOHFXVDGCNQCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-22-18(14-16(20)21)15(19)13-17/h2-14,17H2,1H3,(H,20,21).
What are the key properties of 2-[(2-aminoacetyl)-dodecoxyamino]acetic acid?
2-[(2-aminoacetyl)-dodecoxyamino]acetic acid has a molecular weight of 316.44 g/mol, XLogP of 2.71, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-dodecoxyamino]acetic acid is sourced from PubChem (CID 87759441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).