Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate

Name: Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₂₂N₂O₄ — CID 139351800

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

IUPACtert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate

SMILESC[C@@H](O)CNC(=O)CCNC(=O)OC(C)(C)C

InChIInChI=1S/C11H22N2O4/c1-8(14)7-13-9(15)5-6-12-10(16)17-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,15)/t8-/m1/s1

InChIKeyOHJWSPVQSFALCK-MRVPVSSYSA-N

MW246.31 g/mol

LogP0.40

Rot. Bonds5

About Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate

Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate (PubChem CID 139351800) has the molecular formula C₁₁H₂₂N₂O₄ and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Name	Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate
PubChem CID	139351800
Molecular Formula	C₁₁H₂₂N₂O₄
Molecular Weight	246.31 g/mol
Exact Mass	246.16
IUPAC Name	tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate
SMILES	C[C@@H](O)CNC(=O)CCNC(=O)OC(C)(C)C
InChI	InChI=1S/C11H22N2O4/c1-8(14)7-13-9(15)5-6-12-10(16)17-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,15)/t8-/m1/s1
InChIKey	OHJWSPVQSFALCK-MRVPVSSYSA-N
XLogP	0.40
TPSA	87.66 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.31
LogP ≤ 5	0.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate?

The IUPAC name of Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate (CID 139351800) is tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate.

What is the SMILES notation for Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate?

The canonical SMILES for Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate is C[C@@H](O)CNC(=O)CCNC(=O)OC(C)(C)C.

What is the InChIKey of Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate?

The InChIKey is OHJWSPVQSFALCK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-8(14)7-13-9(15)5-6-12-10(16)17-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,15)/t8-/m1/s1.

What are the key properties of Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate?

Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate has a molecular weight of 246.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 139351800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139351800 — identifiers, structure, computed properties (public domain)

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