N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide

C9H15N3O3 — CID 107437680

IUPACN-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NC2(CO)CC2)CN1
InChIInChI=1S/C9H15N3O3/c13-5-9(1-2-9)12-8(15)6-3-11-7(14)4-10-6/h6,10,13H,1-5H2,(H,11,14)(H,12,15)
InChIKeyPAQLZQBMRPUJOZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP-2.28
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide

N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107437680) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide
PubChem CID107437680
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NC2(CO)CC2)CN1
InChIInChI=1S/C9H15N3O3/c13-5-9(1-2-9)12-8(15)6-3-11-7(14)4-10-6/h6,10,13H,1-5H2,(H,11,14)(H,12,15)
InChIKeyPAQLZQBMRPUJOZ-UHFFFAOYSA-N
XLogP-2.28
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107437337
N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437701
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 114107831
N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
CID 107437561
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide
CID 114164742
(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107565066
5-oxo-N-(thiadiazol-5-yl)piperazine-2-carboxamide
CID 107437804
5-[(5-oxopiperazine-2-carbonyl)amino]hexanoic acid
CID 107437399

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide (CID 107437680) is N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)NC2(CO)CC2)CN1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is PAQLZQBMRPUJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c13-5-9(1-2-9)12-8(15)6-3-11-7(14)4-10-6/h6,10,13H,1-5H2,(H,11,14)(H,12,15).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -2.28, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).