N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide

C8H18N2O4 — CID 58472294

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide
SMILESCNCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H18N2O4/c1-9-3-2-7(14)10-8(4-11,5-12)6-13/h9,11-13H,2-6H2,1H3,(H,10,14)
InChIKeyPSENCMFQVAYIRB-UHFFFAOYSA-N
MW206.24 g/mol
LogP-2.57
Rot. Bonds7

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide (PubChem CID 58472294) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide
PubChem CID58472294
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide
SMILESCNCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H18N2O4/c1-9-3-2-7(14)10-8(4-11,5-12)6-13/h9,11-13H,2-6H2,1H3,(H,10,14)
InChIKeyPSENCMFQVAYIRB-UHFFFAOYSA-N
XLogP-2.57
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-2.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide (CID 58472294) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide is CNCCC(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide?
The InChIKey is PSENCMFQVAYIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4/c1-9-3-2-7(14)10-8(4-11,5-12)6-13/h9,11-13H,2-6H2,1H3,(H,10,14).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(methylamino)propanamide has a molecular weight of 206.24 g/mol, XLogP of -2.57, 7 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]-3-(methylamino)propanamide is sourced from PubChem (CID 58472294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).