2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid

C19H30N2O6 — CID 175912578

IUPAC2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid
SMILESCN(C)CC(=O)O.O=C(O)CCCCCCCNC(=O)c1ccccc1O
InChIInChI=1S/C15H21NO4.C4H9NO2/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19;1-5(2)3-4(6)7/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19);3H2,1-2H3,(H,6,7)
InChIKeyFGFQRJZVEAPDLT-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.18
Rot. Bonds11

About 2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid

2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid (PubChem CID 175912578) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid
PubChem CID175912578
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Name2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid
SMILESCN(C)CC(=O)O.O=C(O)CCCCCCCNC(=O)c1ccccc1O
InChIInChI=1S/C15H21NO4.C4H9NO2/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19;1-5(2)3-4(6)7/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19);3H2,1-2H3,(H,6,7)
InChIKeyFGFQRJZVEAPDLT-UHFFFAOYSA-N
XLogP2.18
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid
CID 175912577
disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid
CID 173066251
2-hydroxy-N-(10-oxoundecyl)benzamide
CID 21335630
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
10-[(2-hydroxybenzoyl)amino]decanoate
CID 145137506
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
azanium 8-[(2-hydroxybenzoyl)amino]octanoate
CID 171364107
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
2-hydroxy-N-(11-nitroso-11-oxoundecyl)benzamide
CID 163501379

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid?
The IUPAC name of 2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid (CID 175912578) is 2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid.
What is the SMILES notation for 2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid?
The canonical SMILES for 2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid is CN(C)CC(=O)O.O=C(O)CCCCCCCNC(=O)c1ccccc1O.
What is the InChIKey of 2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid?
The InChIKey is FGFQRJZVEAPDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4.C4H9NO2/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19;1-5(2)3-4(6)7/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19);3H2,1-2H3,(H,6,7).
What are the key properties of 2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid?
2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid has a molecular weight of 382.46 g/mol, XLogP of 2.18, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid is sourced from PubChem (CID 175912578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).