N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid

C16H33NO5 — CID 87903997

IUPACN,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid
SMILESCCCCN(CCCC)CCCC.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C12H27N.C4H6O5/c1-4-7-10-13(11-8-5-2)12-9-6-3;5-2(4(8)9)1-3(6)7/h4-12H2,1-3H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyVXGYESFAOYELJA-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.60
Rot. Bonds12

About N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid

N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid (PubChem CID 87903997) has the molecular formula C16H33NO5 and a molecular weight of 319.44 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid
PubChem CID87903997
Molecular FormulaC16H33NO5
Molecular Weight319.44 g/mol
Exact Mass319.24
IUPAC NameN,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid
SMILESCCCCN(CCCC)CCCC.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C12H27N.C4H6O5/c1-4-7-10-13(11-8-5-2)12-9-6-3;5-2(4(8)9)1-3(6)7/h4-12H2,1-3H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyVXGYESFAOYELJA-UHFFFAOYSA-N
XLogP2.60
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N,N-dibutylbutan-1-amine;2-hydroxybutanedioic 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

N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid
CID 87904263
bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid
CID 173189047
N,N-dibutylbutan-1-amine;propanoic acid
CID 173098736
2-[dodecyl(methyl)amino]propanoic acid;2-hydroxybutanedioic acid
CID 174596527
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
cobalt;2-hydroxybutanedioic acid
CID 87544145
2-hydroxybutanedioic acid;iron
CID 174146167
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
11-decyltetracosan-11-ol;2-hydroxybutanedioic acid
CID 175272313
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid?
The IUPAC name of N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid (CID 87903997) is N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid.
What is the SMILES notation for N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid?
The canonical SMILES for N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid is CCCCN(CCCC)CCCC.O=C(O)CC(O)C(=O)O.
What is the InChIKey of N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid?
The InChIKey is VXGYESFAOYELJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C4H6O5/c1-4-7-10-13(11-8-5-2)12-9-6-3;5-2(4(8)9)1-3(6)7/h4-12H2,1-3H3;2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid?
N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid has a molecular weight of 319.44 g/mol, XLogP of 2.60, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid is sourced from PubChem (CID 87903997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).