2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine

C7H16N4O — CID 59223305

IUPAC2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine
SMILESCC(C)C(=O)[C@@H](N)CN=C(N)N
InChIInChI=1S/C7H16N4O/c1-4(2)6(12)5(8)3-11-7(9)10/h4-5H,3,8H2,1-2H3,(H4,9,10,11)/t5-/m0/s1
InChIKeyIOEJTNRJXCOXRB-YFKPBYRVSA-N
MW172.23 g/mol
LogP-1.19
Rot. Bonds4

About 2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine

2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine (PubChem CID 59223305) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine.

Molecular Properties

Compound Name2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine
PubChem CID59223305
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine
SMILESCC(C)C(=O)[C@@H](N)CN=C(N)N
InChIInChI=1S/C7H16N4O/c1-4(2)6(12)5(8)3-11-7(9)10/h4-5H,3,8H2,1-2H3,(H4,9,10,11)/t5-/m0/s1
InChIKeyIOEJTNRJXCOXRB-YFKPBYRVSA-N
XLogP-1.19
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.19
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-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine?
The IUPAC name of 2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine (CID 59223305) is 2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine.
What is the SMILES notation for 2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine?
The canonical SMILES for 2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine is CC(C)C(=O)[C@@H](N)CN=C(N)N.
What is the InChIKey of 2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine?
The InChIKey is IOEJTNRJXCOXRB-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H16N4O/c1-4(2)6(12)5(8)3-11-7(9)10/h4-5H,3,8H2,1-2H3,(H4,9,10,11)/t5-/m0/s1.
What are the key properties of 2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine?
2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine has a molecular weight of 172.23 g/mol, XLogP of -1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine is sourced from PubChem (CID 59223305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).