2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine

C10H21N5O — CID 10059633

IUPAC2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine
SMILESNC(N)=NCC[C@H](N)C(=O)N1CCCCC1
InChIInChI=1S/C10H21N5O/c11-8(4-5-14-10(12)13)9(16)15-6-2-1-3-7-15/h8H,1-7,11H2,(H4,12,13,14)/t8-/m0/s1
InChIKeyQKNZZHHRLYHBSF-QMMMGPOBSA-N
MW227.31 g/mol
LogP-1.01
Rot. Bonds4

About 2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine

2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine (PubChem CID 10059633) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine.

Molecular Properties

Compound Name2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine
PubChem CID10059633
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine
SMILESNC(N)=NCC[C@H](N)C(=O)N1CCCCC1
InChIInChI=1S/C10H21N5O/c11-8(4-5-14-10(12)13)9(16)15-6-2-1-3-7-15/h8H,1-7,11H2,(H4,12,13,14)/t8-/m0/s1
InChIKeyQKNZZHHRLYHBSF-QMMMGPOBSA-N
XLogP-1.01
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine?
The IUPAC name of 2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine (CID 10059633) is 2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine.
What is the SMILES notation for 2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine?
The canonical SMILES for 2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine is NC(N)=NCC[C@H](N)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine?
The InChIKey is QKNZZHHRLYHBSF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21N5O/c11-8(4-5-14-10(12)13)9(16)15-6-2-1-3-7-15/h8H,1-7,11H2,(H4,12,13,14)/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine?
2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine has a molecular weight of 227.31 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-amino-4-oxo-4-piperidin-1-ylbutyl]guanidine is sourced from PubChem (CID 10059633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).