2-[(3S)-3-hydroxy-4-oxobutyl]guanidine

C5H11N3O2 — CID 167028797

IUPAC2-[(3S)-3-hydroxy-4-oxobutyl]guanidine
SMILESNC(N)=NCC[C@H](O)C=O
InChIInChI=1S/C5H11N3O2/c6-5(7)8-2-1-4(10)3-9/h3-4,10H,1-2H2,(H4,6,7,8)/t4-/m0/s1
InChIKeyIBZYQCKMRSZNSM-BYPYZUCNSA-N
MW145.16 g/mol
LogP-1.79
Rot. Bonds4

About 2-[(3S)-3-hydroxy-4-oxobutyl]guanidine

2-[(3S)-3-hydroxy-4-oxobutyl]guanidine (PubChem CID 167028797) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxy-4-oxobutyl]guanidine.

Molecular Properties

Compound Name2-[(3S)-3-hydroxy-4-oxobutyl]guanidine
PubChem CID167028797
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name2-[(3S)-3-hydroxy-4-oxobutyl]guanidine
SMILESNC(N)=NCC[C@H](O)C=O
InChIInChI=1S/C5H11N3O2/c6-5(7)8-2-1-4(10)3-9/h3-4,10H,1-2H2,(H4,6,7,8)/t4-/m0/s1
InChIKeyIBZYQCKMRSZNSM-BYPYZUCNSA-N
XLogP-1.79
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-5-amino-6-oxohexyl]guanidine
CID 22853450
sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride
CID 175474256
2-[3-(2-oxoethyl)hexyl]guanidine
CID 143358791
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(3-amino-4-oxohexyl)guanidine
CID 91590692
(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine
CID 141342026
2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
CID 56843687
5-(diaminomethylideneamino)-2-hydroxy-N-sulfanylpentanamide
CID 91357569
(2R,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid
CID 5318222
2-(3,5-diamino-4-oxohexyl)guanidine
CID 91251591
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
CID 174953444

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxy-4-oxobutyl]guanidine?
The IUPAC name of 2-[(3S)-3-hydroxy-4-oxobutyl]guanidine (CID 167028797) is 2-[(3S)-3-hydroxy-4-oxobutyl]guanidine.
What is the SMILES notation for 2-[(3S)-3-hydroxy-4-oxobutyl]guanidine?
The canonical SMILES for 2-[(3S)-3-hydroxy-4-oxobutyl]guanidine is NC(N)=NCC[C@H](O)C=O.
What is the InChIKey of 2-[(3S)-3-hydroxy-4-oxobutyl]guanidine?
The InChIKey is IBZYQCKMRSZNSM-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11N3O2/c6-5(7)8-2-1-4(10)3-9/h3-4,10H,1-2H2,(H4,6,7,8)/t4-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxy-4-oxobutyl]guanidine?
2-[(3S)-3-hydroxy-4-oxobutyl]guanidine has a molecular weight of 145.16 g/mol, XLogP of -1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxy-4-oxobutyl]guanidine is sourced from PubChem (CID 167028797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).