(3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate

C8H16N2O3 — CID 175468594

IUPAC(3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate
SMILESCC(C)(C)C(N)C(C=O)OC(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)6(9)5(4-11)13-7(10)12/h4-6H,9H2,1-3H3,(H2,10,12)
InChIKeyYBXMPMDDIYXJCC-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.02
Rot. Bonds3

About (3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate

(3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate (PubChem CID 175468594) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate.

Molecular Properties

Compound Name(3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate
PubChem CID175468594
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate
SMILESCC(C)(C)C(N)C(C=O)OC(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)6(9)5(4-11)13-7(10)12/h4-6H,9H2,1-3H3,(H2,10,12)
InChIKeyYBXMPMDDIYXJCC-UHFFFAOYSA-N
XLogP0.02
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate
CID 87581677
[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] carbamate
CID 87990726
[(2R)-1-methoxy-3-oxopropan-2-yl] carbamate
CID 175397204
propan-2-yl (2R)-2,3,3-trimethylbutanoate
CID 59132044
2,2-dimethylheptan-3-yl carbamate
CID 175434709
3,3-dimethylbutan-2-yl carbamate;prop-2-enoic acid
CID 175114624
[amino(carbamoyloxy)methyl] carbamate
CID 87689062
(1-chloro-3,3-dimethylbutan-2-yl) carbamate
CID 54122830
(5-amino-2,2,5-trimethylhexan-3-yl) carbamate
CID 150297531
1-oxopropan-2-yl 2,2-dimethylpropanoate
CID 87537011
2,3-diamino-4,4-dimethylpentanoic acid
CID 116942173
silver;propan-2-amine;propan-2-yl carbamate
CID 172719608

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate?
The IUPAC name of (3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate (CID 175468594) is (3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate.
What is the SMILES notation for (3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate?
The canonical SMILES for (3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate is CC(C)(C)C(N)C(C=O)OC(N)=O.
What is the InChIKey of (3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate?
The InChIKey is YBXMPMDDIYXJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)6(9)5(4-11)13-7(10)12/h4-6H,9H2,1-3H3,(H2,10,12).
What are the key properties of (3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate?
(3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate has a molecular weight of 188.23 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate is sourced from PubChem (CID 175468594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).