2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol

Name: 2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₉NO₄ — CID 156729799

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol

SMILESCCC(CO)NC(CO)(CO)CO

InChIInChI=1S/C8H19NO4/c1-2-7(3-10)9-8(4-11,5-12)6-13/h7,9-13H,2-6H2,1H3

InChIKeyUPSRJMCYVXEBPU-UHFFFAOYSA-N

MW193.24 g/mol

LogP-1.94

Rot. Bonds7

About 2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol

2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 156729799) has the molecular formula C₈H₁₉NO₄ and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name	2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID	156729799
Molecular Formula	C₈H₁₉NO₄
Molecular Weight	193.24 g/mol
Exact Mass	193.13
IUPAC Name	2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol
SMILES	CCC(CO)NC(CO)(CO)CO
InChI	InChI=1S/C8H19NO4/c1-2-7(3-10)9-8(4-11,5-12)6-13/h7,9-13H,2-6H2,1H3
InChIKey	UPSRJMCYVXEBPU-UHFFFAOYSA-N
XLogP	-1.94
TPSA	92.95 Å²
H-Bond Donors	5
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.24
LogP ≤ 5	-1.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol?

The IUPAC name of 2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol (CID 156729799) is 2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol.

What is the SMILES notation for 2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol?

The canonical SMILES for 2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol is CCC(CO)NC(CO)(CO)CO.

What is the InChIKey of 2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol?

The InChIKey is UPSRJMCYVXEBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4/c1-2-7(3-10)9-8(4-11,5-12)6-13/h7,9-13H,2-6H2,1H3.

What are the key properties of 2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol?

2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 193.24 g/mol, XLogP of -1.94, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-hydroxybutan-2-ylamino)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 156729799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156729799 — identifiers, structure, computed properties (public domain)

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