(2S)-2-(dimethylphosphorylamino)-4-methylpentanamide

C8H19N2O2P — CID 59929035

IUPAC(2S)-2-(dimethylphosphorylamino)-4-methylpentanamide
SMILESCC(C)C[C@H](NP(C)(C)=O)C(N)=O
InChIInChI=1S/C8H19N2O2P/c1-6(2)5-7(8(9)11)10-13(3,4)12/h6-7H,5H2,1-4H3,(H2,9,11)(H,10,12)/t7-/m0/s1
InChIKeyWVTMQUTXOOGSRP-ZETCQYMHSA-N
MW206.23 g/mol
LogP1.01
Rot. Bonds5

About (2S)-2-(dimethylphosphorylamino)-4-methylpentanamide

(2S)-2-(dimethylphosphorylamino)-4-methylpentanamide (PubChem CID 59929035) has the molecular formula C8H19N2O2P and a molecular weight of 206.23 g/mol. Its IUPAC name is (2S)-2-(dimethylphosphorylamino)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylphosphorylamino)-4-methylpentanamide
PubChem CID59929035
Molecular FormulaC8H19N2O2P
Molecular Weight206.23 g/mol
Exact Mass206.12
IUPAC Name(2S)-2-(dimethylphosphorylamino)-4-methylpentanamide
SMILESCC(C)C[C@H](NP(C)(C)=O)C(N)=O
InChIInChI=1S/C8H19N2O2P/c1-6(2)5-7(8(9)11)10-13(3,4)12/h6-7H,5H2,1-4H3,(H2,9,11)(H,10,12)/t7-/m0/s1
InChIKeyWVTMQUTXOOGSRP-ZETCQYMHSA-N
XLogP1.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
2-(hydroxyamino)-4-methylpentanamide
CID 14584858
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide
CID 90231263
5-amino-4-(2,4-dimethylpentanoylamino)-5-oxopentanoic acid
CID 170732658
2,4-dimethylpentanamide;N,2,4-trimethylpentanamide
CID 143544198
chloromethyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 54384258
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 7282367
methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
CID 62901379
(2R)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]amino]-4-methylpentanoic acid
CID 57391510
2-chloro-4-methylpentanamide
CID 62224745
(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
CID 164701774
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]pentanamide
CID 46882769

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylphosphorylamino)-4-methylpentanamide?
The IUPAC name of (2S)-2-(dimethylphosphorylamino)-4-methylpentanamide (CID 59929035) is (2S)-2-(dimethylphosphorylamino)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-(dimethylphosphorylamino)-4-methylpentanamide?
The canonical SMILES for (2S)-2-(dimethylphosphorylamino)-4-methylpentanamide is CC(C)C[C@H](NP(C)(C)=O)C(N)=O.
What is the InChIKey of (2S)-2-(dimethylphosphorylamino)-4-methylpentanamide?
The InChIKey is WVTMQUTXOOGSRP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H19N2O2P/c1-6(2)5-7(8(9)11)10-13(3,4)12/h6-7H,5H2,1-4H3,(H2,9,11)(H,10,12)/t7-/m0/s1.
What are the key properties of (2S)-2-(dimethylphosphorylamino)-4-methylpentanamide?
(2S)-2-(dimethylphosphorylamino)-4-methylpentanamide has a molecular weight of 206.23 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylphosphorylamino)-4-methylpentanamide is sourced from PubChem (CID 59929035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).