methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate

C15H32NO2P — CID 134886088

IUPACmethyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate
SMILESCCC(C)P(N[C@H](CC(C)C)C(=O)OC)C(C)(C)C
InChIInChI=1S/C15H32NO2P/c1-9-12(4)19(15(5,6)7)16-13(10-11(2)3)14(17)18-8/h11-13,16H,9-10H2,1-8H3/t12?,13-,19?/m1/s1
InChIKeyVKKYWZDSVQNFSP-FWHMADFJSA-N
MW289.40 g/mol
LogP4.16
Rot. Bonds7

About methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate

methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate (PubChem CID 134886088) has the molecular formula C15H32NO2P and a molecular weight of 289.40 g/mol. Its IUPAC name is methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate
PubChem CID134886088
Molecular FormulaC15H32NO2P
Molecular Weight289.40 g/mol
Exact Mass289.22
IUPAC Namemethyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate
SMILESCCC(C)P(N[C@H](CC(C)C)C(=O)OC)C(C)(C)C
InChIInChI=1S/C15H32NO2P/c1-9-12(4)19(15(5,6)7)16-13(10-11(2)3)14(17)18-8/h11-13,16H,9-10H2,1-8H3/t12?,13-,19?/m1/s1
InChIKeyVKKYWZDSVQNFSP-FWHMADFJSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(2S)-2,4-dimethylpentanoyl]amino]butanoate
CID 170397026
methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate
CID 65338075
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
CID 103954730
methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
CID 62901379
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl (2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 22872263
methyl 2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 19957218
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate
CID 166823747
methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
CID 14463277

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate (CID 134886088) is methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate is CCC(C)P(N[C@H](CC(C)C)C(=O)OC)C(C)(C)C.
What is the InChIKey of methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate?
The InChIKey is VKKYWZDSVQNFSP-FWHMADFJSA-N. The full InChI is InChI=1S/C15H32NO2P/c1-9-12(4)19(15(5,6)7)16-13(10-11(2)3)14(17)18-8/h11-13,16H,9-10H2,1-8H3/t12?,13-,19?/m1/s1.
What are the key properties of methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate?
methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate has a molecular weight of 289.40 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate is sourced from PubChem (CID 134886088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).