amino-(propan-2-ylamino)methanediol

C4H12N2O2 — CID 163473604

IUPACamino-(propan-2-ylamino)methanediol
SMILESCC(C)NC(N)(O)O
InChIInChI=1S/C4H12N2O2/c1-3(2)6-4(5,7)8/h3,6-8H,5H2,1-2H3
InChIKeyBYPLGVBMDIDRRD-UHFFFAOYSA-N
MW120.15 g/mol
LogP-1.46
Rot. Bonds2

About amino-(propan-2-ylamino)methanediol

amino-(propan-2-ylamino)methanediol (PubChem CID 163473604) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is amino-(propan-2-ylamino)methanediol.

Molecular Properties

Compound Nameamino-(propan-2-ylamino)methanediol
PubChem CID163473604
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Nameamino-(propan-2-ylamino)methanediol
SMILESCC(C)NC(N)(O)O
InChIInChI=1S/C4H12N2O2/c1-3(2)6-4(5,7)8/h3,6-8H,5H2,1-2H3
InChIKeyBYPLGVBMDIDRRD-UHFFFAOYSA-N
XLogP-1.46
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-(propan-2-ylamino)methanediol?
The IUPAC name of amino-(propan-2-ylamino)methanediol (CID 163473604) is amino-(propan-2-ylamino)methanediol.
What is the SMILES notation for amino-(propan-2-ylamino)methanediol?
The canonical SMILES for amino-(propan-2-ylamino)methanediol is CC(C)NC(N)(O)O.
What is the InChIKey of amino-(propan-2-ylamino)methanediol?
The InChIKey is BYPLGVBMDIDRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2/c1-3(2)6-4(5,7)8/h3,6-8H,5H2,1-2H3.
What are the key properties of amino-(propan-2-ylamino)methanediol?
amino-(propan-2-ylamino)methanediol has a molecular weight of 120.15 g/mol, XLogP of -1.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(propan-2-ylamino)methanediol is sourced from PubChem (CID 163473604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).