(2S,3S)-2-amino-N,N,3-trimethylpentanamide

C8H18N2O — CID 10678522

IUPAC(2S,3S)-2-amino-N,N,3-trimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)C
InChIInChI=1S/C8H18N2O/c1-5-6(2)7(9)8(11)10(3)4/h6-7H,5,9H2,1-4H3/t6-,7-/m0/s1
InChIKeyBBURRWZXFUJMSZ-BQBZGAKWSA-N
MW158.24 g/mol
LogP0.45
Rot. Bonds3

About (2S,3S)-2-amino-N,N,3-trimethylpentanamide

(2S,3S)-2-amino-N,N,3-trimethylpentanamide (PubChem CID 10678522) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S,3S)-2-amino-N,N,3-trimethylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N,N,3-trimethylpentanamide
PubChem CID10678522
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(2S,3S)-2-amino-N,N,3-trimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)C
InChIInChI=1S/C8H18N2O/c1-5-6(2)7(9)8(11)10(3)4/h6-7H,5,9H2,1-4H3/t6-,7-/m0/s1
InChIKeyBBURRWZXFUJMSZ-BQBZGAKWSA-N
XLogP0.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N,N,3-trimethylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N,N,3-trimethylpentanamide (CID 10678522) is (2S,3S)-2-amino-N,N,3-trimethylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N,N,3-trimethylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N,N,3-trimethylpentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)C.
What is the InChIKey of (2S,3S)-2-amino-N,N,3-trimethylpentanamide?
The InChIKey is BBURRWZXFUJMSZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-6(2)7(9)8(11)10(3)4/h6-7H,5,9H2,1-4H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N,N,3-trimethylpentanamide?
(2S,3S)-2-amino-N,N,3-trimethylpentanamide has a molecular weight of 158.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N,N,3-trimethylpentanamide is sourced from PubChem (CID 10678522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).