(3S)-2-amino-4-iminopentane-1,3-diol

C5H12N2O2 — CID 89425663

IUPAC(3S)-2-amino-4-iminopentane-1,3-diol
SMILES[H]/N=C(\C)[C@@H](O)C(N)CO
InChIInChI=1S/C5H12N2O2/c1-3(6)5(9)4(7)2-8/h4-6,8-9H,2,7H2,1H3/b6-3+/t4?,5-/m1/s1
InChIKeyMZLKGRAIIWQJPE-MRCLHIKOSA-N
MW132.16 g/mol
LogP-1.29
Rot. Bonds3

About (3S)-2-amino-4-iminopentane-1,3-diol

(3S)-2-amino-4-iminopentane-1,3-diol (PubChem CID 89425663) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3S)-2-amino-4-iminopentane-1,3-diol.

Molecular Properties

Compound Name(3S)-2-amino-4-iminopentane-1,3-diol
PubChem CID89425663
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name(3S)-2-amino-4-iminopentane-1,3-diol
SMILES[H]/N=C(\C)[C@@H](O)C(N)CO
InChIInChI=1S/C5H12N2O2/c1-3(6)5(9)4(7)2-8/h4-6,8-9H,2,7H2,1H3/b6-3+/t4?,5-/m1/s1
InChIKeyMZLKGRAIIWQJPE-MRCLHIKOSA-N
XLogP-1.29
TPSA90.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4,6-trihydroxyhexan-3-one
CID 150230549
(3S)-4-ethyl-2-iminohexan-3-amine
CID 166901408
3-amino-2,4-dihydroxybutanoic acid
CID 14888070
3-amino-4-iminopentan-2-one
CID 143689653
2-amino-3-iminobutanethioamide
CID 123398026
(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
3-methylbutan-2-imine
CID 20811318
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
3-ethylpentan-2-imine
CID 91583168
3-ethyl-4-iminopentan-2-one
CID 90798974
2-aminopropan-1-ol;hydrofluoride
CID 22617394
2-imino-1-trimethylsilylpropan-1-ol
CID 140783227

Frequently Asked Questions

What is the IUPAC name of (3S)-2-amino-4-iminopentane-1,3-diol?
The IUPAC name of (3S)-2-amino-4-iminopentane-1,3-diol (CID 89425663) is (3S)-2-amino-4-iminopentane-1,3-diol.
What is the SMILES notation for (3S)-2-amino-4-iminopentane-1,3-diol?
The canonical SMILES for (3S)-2-amino-4-iminopentane-1,3-diol is [H]/N=C(\C)[C@@H](O)C(N)CO.
What is the InChIKey of (3S)-2-amino-4-iminopentane-1,3-diol?
The InChIKey is MZLKGRAIIWQJPE-MRCLHIKOSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-3(6)5(9)4(7)2-8/h4-6,8-9H,2,7H2,1H3/b6-3+/t4?,5-/m1/s1.
What are the key properties of (3S)-2-amino-4-iminopentane-1,3-diol?
(3S)-2-amino-4-iminopentane-1,3-diol has a molecular weight of 132.16 g/mol, XLogP of -1.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-amino-4-iminopentane-1,3-diol is sourced from PubChem (CID 89425663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).