[(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate

C8H18N2O2 — CID 87581677

IUPAC[(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate
SMILESC[C@@H](N)C(OC(N)=O)C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5(9)6(8(2,3)4)12-7(10)11/h5-6H,9H2,1-4H3,(H2,10,11)/t5-,6?/m1/s1
InChIKeyCRQOIQVXKWMPAS-LWOQYNTDSA-N
MW174.24 g/mol
LogP0.84
Rot. Bonds2

About [(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate

[(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate (PubChem CID 87581677) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate.

Molecular Properties

Compound Name[(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate
PubChem CID87581677
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name[(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate
SMILESC[C@@H](N)C(OC(N)=O)C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5(9)6(8(2,3)4)12-7(10)11/h5-6H,9H2,1-4H3,(H2,10,11)/t5-,6?/m1/s1
InChIKeyCRQOIQVXKWMPAS-LWOQYNTDSA-N
XLogP0.84
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3-amino-4,4-dimethyl-1-oxopentan-2-yl) carbamate
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(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate
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3,3-dimethylbutan-2-yl carbamate;2-methylprop-2-enoic acid
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3,3-dimethylbutan-2-yl carbamate;prop-2-enoic acid
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[amino(carbamoyloxy)methyl] carbamate
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(1-chloro-3,3-dimethylbutan-2-yl) carbamate
CID 54122830
1-tert-butylperoxyethyl carbamate
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[(4R)-4-acetyloxy-2,2,5,5-tetramethylhexan-3-yl] acetate
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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate?
The IUPAC name of [(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate (CID 87581677) is [(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate.
What is the SMILES notation for [(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate?
The canonical SMILES for [(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate is C[C@@H](N)C(OC(N)=O)C(C)(C)C.
What is the InChIKey of [(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate?
The InChIKey is CRQOIQVXKWMPAS-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5(9)6(8(2,3)4)12-7(10)11/h5-6H,9H2,1-4H3,(H2,10,11)/t5-,6?/m1/s1.
What are the key properties of [(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate?
[(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate is sourced from PubChem (CID 87581677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).