[(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid

C11H24N2O2 — CID 45092257

IUPAC[(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)[C@@H](CN)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-10(2,3)8(7-12)13(9(14)15)11(4,5)6/h8H,7,12H2,1-6H3,(H,14,15)/t8-/m1/s1
InChIKeyKYXCGOPBPKECER-MRVPVSSYSA-N
MW216.32 g/mol
LogP2.14
Rot. Bonds2

About [(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid

[(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid (PubChem CID 45092257) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is [(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid
PubChem CID45092257
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name[(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)[C@@H](CN)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-10(2,3)8(7-12)13(9(14)15)11(4,5)6/h8H,7,12H2,1-6H3,(H,14,15)/t8-/m1/s1
InChIKeyKYXCGOPBPKECER-MRVPVSSYSA-N
XLogP2.14
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid?
The IUPAC name of [(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid (CID 45092257) is [(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid.
What is the SMILES notation for [(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid?
The canonical SMILES for [(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid is CC(C)(C)[C@@H](CN)N(C(=O)O)C(C)(C)C.
What is the InChIKey of [(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid?
The InChIKey is KYXCGOPBPKECER-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-10(2,3)8(7-12)13(9(14)15)11(4,5)6/h8H,7,12H2,1-6H3,(H,14,15)/t8-/m1/s1.
What are the key properties of [(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid?
[(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid has a molecular weight of 216.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-3,3-dimethylbutan-2-yl]-tert-butylcarbamic acid is sourced from PubChem (CID 45092257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).