(2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one

C9H18NO2P — CID 170087255

IUPAC(2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one
SMILESCC(C)C[C@@H](NP)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C9H18NO2P/c1-6(2)4-7(10-13)8(11)9(3)5-12-9/h6-7,10H,4-5,13H2,1-3H3/t7-,9-/m1/s1
InChIKeyVCBMUSPMXFPYPN-VXNVDRBHSA-N
MW203.22 g/mol
LogP1.14
Rot. Bonds5

About (2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one

(2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one (PubChem CID 170087255) has the molecular formula C9H18NO2P and a molecular weight of 203.22 g/mol. Its IUPAC name is (2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one.

Molecular Properties

Compound Name(2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one
PubChem CID170087255
Molecular FormulaC9H18NO2P
Molecular Weight203.22 g/mol
Exact Mass203.11
IUPAC Name(2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one
SMILESCC(C)C[C@@H](NP)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C9H18NO2P/c1-6(2)4-7(10-13)8(11)9(3)5-12-9/h6-7,10H,4-5,13H2,1-3H3/t7-,9-/m1/s1
InChIKeyVCBMUSPMXFPYPN-VXNVDRBHSA-N
XLogP1.14
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
CID 118582646
[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]carbamic acid
CID 122640384
(2S)-2-(ethylamino)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;molecular hydrogen
CID 144509195
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-2-phosphanylacetyl]amino]-4-methylpentanoyl]amino]-4-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]pentanamide
CID 163627635
(2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide
CID 89426682
2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide
CID 130371017
(2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]-3-phenylpropan-1-one
CID 159517071
(2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
CID 76844706
[(2S)-1-[[(2S)-3-(difluoromethoxy)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 140680620
2-amino-N-[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
CID 143460384
N-[(2S)-3-hydroxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6-methylheptanamide
CID 100996767
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]hexanamide
CID 71495651

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one?
The IUPAC name of (2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one (CID 170087255) is (2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one.
What is the SMILES notation for (2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one?
The canonical SMILES for (2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one is CC(C)C[C@@H](NP)C(=O)[C@@]1(C)CO1.
What is the InChIKey of (2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one?
The InChIKey is VCBMUSPMXFPYPN-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H18NO2P/c1-6(2)4-7(10-13)8(11)9(3)5-12-9/h6-7,10H,4-5,13H2,1-3H3/t7-,9-/m1/s1.
What are the key properties of (2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one?
(2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one has a molecular weight of 203.22 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one is sourced from PubChem (CID 170087255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).