N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide

C13H18N2O4 — CID 107852883

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)C1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O4/c16-6-13(7-17,8-18)15-12(19)11-5-9-3-1-2-4-10(9)14-11/h1-4,11,14,16-18H,5-8H2,(H,15,19)
InChIKeyJLFVZMGPKYWFOT-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.14
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 107852883) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID107852883
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)C1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O4/c16-6-13(7-17,8-18)15-12(19)11-5-9-3-1-2-4-10(9)14-11/h1-4,11,14,16-18H,5-8H2,(H,15,19)
InChIKeyJLFVZMGPKYWFOT-UHFFFAOYSA-N
XLogP-1.14
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide 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

(2S)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106188200
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
2-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpentanoic acid
CID 76894150
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 107221687
N-methylsulfonyl-2,3-dihydro-1H-indole-2-carboxamide
CID 103287754
N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83022174
(2S)-N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83020881
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide (CID 107852883) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(NC(CO)(CO)CO)C1Cc2ccccc2N1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is JLFVZMGPKYWFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-6-13(7-17,8-18)15-12(19)11-5-9-3-1-2-4-10(9)14-11/h1-4,11,14,16-18H,5-8H2,(H,15,19).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -1.14, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 107852883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).