LUQCQTCJUWASKJ-IENPIDJESA-N

Name: LUQCQTCJUWASKJ-IENPIDJESA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₃N₃O₃ — CID 14555450

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

IUPACtert-butyl N-[(2S)-1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate

SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCNC1

InChIInChI=1S/C12H23N3O3/c1-8(14-11(17)18-12(2,3)4)10(16)15-9-5-6-13-7-9/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16)/t8-,9?/m0/s1

InChIKeyLUQCQTCJUWASKJ-IENPIDJESA-N

MW257.33 g/mol

LogP0.38

Rot. Bonds3

About LUQCQTCJUWASKJ-IENPIDJESA-N

LUQCQTCJUWASKJ-IENPIDJESA-N (PubChem CID 14555450) has the molecular formula C₁₂H₂₃N₃O₃ and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Name	LUQCQTCJUWASKJ-IENPIDJESA-N
PubChem CID	14555450
Molecular Formula	C₁₂H₂₃N₃O₃
Molecular Weight	257.33 g/mol
Exact Mass	257.17
IUPAC Name	tert-butyl N-[(2S)-1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate
SMILES	C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCNC1
InChI	InChI=1S/C12H23N3O3/c1-8(14-11(17)18-12(2,3)4)10(16)15-9-5-6-13-7-9/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16)/t8-,9?/m0/s1
InChIKey	LUQCQTCJUWASKJ-IENPIDJESA-N
XLogP	0.38
TPSA	79.46 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.33
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of LUQCQTCJUWASKJ-IENPIDJESA-N?

The IUPAC name of LUQCQTCJUWASKJ-IENPIDJESA-N (CID 14555450) is tert-butyl N-[(2S)-1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]carbamate.

What is the SMILES notation for LUQCQTCJUWASKJ-IENPIDJESA-N?

The canonical SMILES for LUQCQTCJUWASKJ-IENPIDJESA-N is C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCNC1.

What is the InChIKey of LUQCQTCJUWASKJ-IENPIDJESA-N?

The InChIKey is LUQCQTCJUWASKJ-IENPIDJESA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(14-11(17)18-12(2,3)4)10(16)15-9-5-6-13-7-9/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16)/t8-,9?/m0/s1.

What are the key properties of LUQCQTCJUWASKJ-IENPIDJESA-N?

LUQCQTCJUWASKJ-IENPIDJESA-N has a molecular weight of 257.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for LUQCQTCJUWASKJ-IENPIDJESA-N is sourced from PubChem (CID 14555450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 14555450 — identifiers, structure, computed properties (public domain)

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