N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide

C11H22N2O8 — CID 21205308

IUPACN,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide
SMILESO=C(CC(=O)NC(CO)(CO)CO)NC(CO)(CO)CO
InChIInChI=1S/C11H22N2O8/c14-2-10(3-15,4-16)12-8(20)1-9(21)13-11(5-17,6-18)7-19/h14-19H,1-7H2,(H,12,20)(H,13,21)
InChIKeyMTOVAHIRLZAVMQ-UHFFFAOYSA-N
MW310.30 g/mol
LogP-4.96
Rot. Bonds10

About N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide

N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide (PubChem CID 21205308) has the molecular formula C11H22N2O8 and a molecular weight of 310.30 g/mol. Its IUPAC name is N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide
PubChem CID21205308
Molecular FormulaC11H22N2O8
Molecular Weight310.30 g/mol
Exact Mass310.14
IUPAC NameN,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide
SMILESO=C(CC(=O)NC(CO)(CO)CO)NC(CO)(CO)CO
InChIInChI=1S/C11H22N2O8/c14-2-10(3-15,4-16)12-8(20)1-9(21)13-11(5-17,6-18)7-19/h14-19H,1-7H2,(H,12,20)(H,13,21)
InChIKeyMTOVAHIRLZAVMQ-UHFFFAOYSA-N
XLogP-4.96
TPSA179.58 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.30
LogP ≤ 5-4.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide 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'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanediamide
CID 19706262
3-(diethylamino)propanoic acid N-[tri(hydroxy-methyl)methyl]amide
CID 129761524
N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide
CID 4000556
N,N'-bis(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanediamide
CID 11380316
N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)pivalamide
CID 18737286
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide
CID 22140528
N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylpropanediamide
CID 22900982
CID 57530338
CID 57530338
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]-ethylamino]propanamide
CID 58472278
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide
CID 58472294
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]amino]propanamide
CID 58472367
CID 59005243
CID 59005243

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide?
The IUPAC name of N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide (CID 21205308) is N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide.
What is the SMILES notation for N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide?
The canonical SMILES for N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide is O=C(CC(=O)NC(CO)(CO)CO)NC(CO)(CO)CO.
What is the InChIKey of N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide?
The InChIKey is MTOVAHIRLZAVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O8/c14-2-10(3-15,4-16)12-8(20)1-9(21)13-11(5-17,6-18)7-19/h14-19H,1-7H2,(H,12,20)(H,13,21).
What are the key properties of N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide?
N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide has a molecular weight of 310.30 g/mol, XLogP of -4.96, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanediamide is sourced from PubChem (CID 21205308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).