(1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid

C4H10N2O2 — CID 166731715

IUPAC(1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid
SMILES[2H]C([2H])([2H])C(NC(=O)O)C([2H])([2H])N
InChIInChI=1S/C4H10N2O2/c1-3(2-5)6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/i1D3,2D2
InChIKeyZHWWPRBSUHITHG-ZBJDZAJPSA-N
MW123.17 g/mol
LogP-0.40
Rot. Bonds3

About (1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid

(1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid (PubChem CID 166731715) has the molecular formula C4H10N2O2 and a molecular weight of 123.17 g/mol. Its IUPAC name is (1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid
PubChem CID166731715
Molecular FormulaC4H10N2O2
Molecular Weight123.17 g/mol
Exact Mass123.11
IUPAC Name(1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid
SMILES[2H]C([2H])([2H])C(NC(=O)O)C([2H])([2H])N
InChIInChI=1S/C4H10N2O2/c1-3(2-5)6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/i1D3,2D2
InChIKeyZHWWPRBSUHITHG-ZBJDZAJPSA-N
XLogP-0.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid?
The IUPAC name of (1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid (CID 166731715) is (1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid.
What is the SMILES notation for (1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid?
The canonical SMILES for (1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid is [2H]C([2H])([2H])C(NC(=O)O)C([2H])([2H])N.
What is the InChIKey of (1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid?
The InChIKey is ZHWWPRBSUHITHG-ZBJDZAJPSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-3(2-5)6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/i1D3,2D2.
What are the key properties of (1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid?
(1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid has a molecular weight of 123.17 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid is sourced from PubChem (CID 166731715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).