8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid

C19H29ClN2O6 — CID 175912577

IUPAC8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid
SMILESCN(C)CC(=O)O.O=C(O)CCCCCCCNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H20ClNO4.C4H9NO2/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20;1-5(2)3-4(6)7/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20);3H2,1-2H3,(H,6,7)
InChIKeyKIFLWRKTOFZFCE-UHFFFAOYSA-N
MW416.90 g/mol
LogP2.83
Rot. Bonds11

About 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid

8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid (PubChem CID 175912577) has the molecular formula C19H29ClN2O6 and a molecular weight of 416.90 g/mol. Its IUPAC name is 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid.

Molecular Properties

Compound Name8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid
PubChem CID175912577
Molecular FormulaC19H29ClN2O6
Molecular Weight416.90 g/mol
Exact Mass416.17
IUPAC Name8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid
SMILESCN(C)CC(=O)O.O=C(O)CCCCCCCNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H20ClNO4.C4H9NO2/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20;1-5(2)3-4(6)7/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20);3H2,1-2H3,(H,6,7)
InChIKeyKIFLWRKTOFZFCE-UHFFFAOYSA-N
XLogP2.83
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.90
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid
CID 175912578
8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;1-methylpiperazine
CID 175439184
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629
benzyl(trimethyl)azanium;8-[(5-chloro-2-hydroxybenzoyl)amino]octanoate
CID 169085802
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
4-[(5-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 119352707
4-[(4-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 120684450
6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid
CID 120522449
2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
CID 15858288
4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
CID 63110659
8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid
CID 126640594

Frequently Asked Questions

What is the IUPAC name of 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid?
The IUPAC name of 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid (CID 175912577) is 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid.
What is the SMILES notation for 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid?
The canonical SMILES for 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid is CN(C)CC(=O)O.O=C(O)CCCCCCCNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid?
The InChIKey is KIFLWRKTOFZFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4.C4H9NO2/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20;1-5(2)3-4(6)7/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20);3H2,1-2H3,(H,6,7).
What are the key properties of 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid?
8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid has a molecular weight of 416.90 g/mol, XLogP of 2.83, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid is sourced from PubChem (CID 175912577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).