(1-amino-3-methyl-1-oxopentan-2-yl) carbamate

C7H14N2O3 — CID 174514155

IUPAC(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
SMILESCCC(C)C(OC(N)=O)C(N)=O
InChIInChI=1S/C7H14N2O3/c1-3-4(2)5(6(8)10)12-7(9)11/h4-5H,3H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyJNZYRJVVEBKKHT-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.02
Rot. Bonds4

About (1-amino-3-methyl-1-oxopentan-2-yl) carbamate

(1-amino-3-methyl-1-oxopentan-2-yl) carbamate (PubChem CID 174514155) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (1-amino-3-methyl-1-oxopentan-2-yl) carbamate.

Molecular Properties

Compound Name(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
PubChem CID174514155
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
SMILESCCC(C)C(OC(N)=O)C(N)=O
InChIInChI=1S/C7H14N2O3/c1-3-4(2)5(6(8)10)12-7(9)11/h4-5H,3H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyJNZYRJVVEBKKHT-UHFFFAOYSA-N
XLogP-0.02
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methyl-1-oxopentan-2-yl) carbamate?
The IUPAC name of (1-amino-3-methyl-1-oxopentan-2-yl) carbamate (CID 174514155) is (1-amino-3-methyl-1-oxopentan-2-yl) carbamate.
What is the SMILES notation for (1-amino-3-methyl-1-oxopentan-2-yl) carbamate?
The canonical SMILES for (1-amino-3-methyl-1-oxopentan-2-yl) carbamate is CCC(C)C(OC(N)=O)C(N)=O.
What is the InChIKey of (1-amino-3-methyl-1-oxopentan-2-yl) carbamate?
The InChIKey is JNZYRJVVEBKKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-4(2)5(6(8)10)12-7(9)11/h4-5H,3H2,1-2H3,(H2,8,10)(H2,9,11).
What are the key properties of (1-amino-3-methyl-1-oxopentan-2-yl) carbamate?
(1-amino-3-methyl-1-oxopentan-2-yl) carbamate has a molecular weight of 174.20 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methyl-1-oxopentan-2-yl) carbamate is sourced from PubChem (CID 174514155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).