2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine

C7H16N4O2 — CID 118056218

IUPAC2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine
SMILESCC(=O)[C@H](N)OCCCN=C(N)N
InChIInChI=1S/C7H16N4O2/c1-5(12)6(8)13-4-2-3-11-7(9)10/h6H,2-4,8H2,1H3,(H4,9,10,11)/t6-/m1/s1
InChIKeyCIOZMYFKBSPIRL-ZCFIWIBFSA-N
MW188.23 g/mol
LogP-1.46
Rot. Bonds6

About 2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine

2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine (PubChem CID 118056218) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine
PubChem CID118056218
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine
SMILESCC(=O)[C@H](N)OCCCN=C(N)N
InChIInChI=1S/C7H16N4O2/c1-5(12)6(8)13-4-2-3-11-7(9)10/h6H,2-4,8H2,1H3,(H4,9,10,11)/t6-/m1/s1
InChIKeyCIOZMYFKBSPIRL-ZCFIWIBFSA-N
XLogP-1.46
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(diaminomethylideneamino)propyl methyl carbonate
CID 121342471
acetic acid;methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175503093
3,3-dihydroxypropyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;hydrochloride
CID 90331954
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 7016373
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;acetate
CID 87670814
aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 139681753
amino 2-amino-6-(diaminomethylideneamino)hexanoate
CID 174392232

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine?
The IUPAC name of 2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine (CID 118056218) is 2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine.
What is the SMILES notation for 2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine?
The canonical SMILES for 2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine is CC(=O)[C@H](N)OCCCN=C(N)N.
What is the InChIKey of 2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine?
The InChIKey is CIOZMYFKBSPIRL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-5(12)6(8)13-4-2-3-11-7(9)10/h6H,2-4,8H2,1H3,(H4,9,10,11)/t6-/m1/s1.
What are the key properties of 2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine?
2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine has a molecular weight of 188.23 g/mol, XLogP of -1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1R)-1-amino-2-oxopropoxy]propyl]guanidine is sourced from PubChem (CID 118056218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).