(2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide

C23H33N2O4P — CID 10906158

IUPAC(2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide
SMILESCCC(C)C(NC(=O)[C@@H](N)[C@@H](C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H33N2O4P/c1-5-17(3)21(24)22(26)25-23(18(4)6-2)30(27,28-19-13-9-7-10-14-19)29-20-15-11-8-12-16-20/h7-18,21,23H,5-6,24H2,1-4H3,(H,25,26)/t17-,18?,21-,23?/m0/s1
InChIKeyMHSYPAGAKFCIPW-FCHICCFQSA-N
MW432.50 g/mol
LogP5.20
Rot. Bonds11

About (2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide

(2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide (PubChem CID 10906158) has the molecular formula C23H33N2O4P and a molecular weight of 432.50 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide
PubChem CID10906158
Molecular FormulaC23H33N2O4P
Molecular Weight432.50 g/mol
Exact Mass432.22
IUPAC Name(2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide
SMILESCCC(C)C(NC(=O)[C@@H](N)[C@@H](C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C23H33N2O4P/c1-5-17(3)21(24)22(26)25-23(18(4)6-2)30(27,28-19-13-9-7-10-14-19)29-20-15-11-8-12-16-20/h7-18,21,23H,5-6,24H2,1-4H3,(H,25,26)/t17-,18?,21-,23?/m0/s1
InChIKeyMHSYPAGAKFCIPW-FCHICCFQSA-N
XLogP5.20
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 43708998
(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
CID 61258252
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
CID 4599499
(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide
CID 157238222
4-[(2-amino-3-methylpentanoyl)amino]-4-phenylbutanoic acid
CID 61162447
2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride
CID 119772630
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
(2S,3S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide;hydrochloride
CID 118816009

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide (CID 10906158) is (2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide is CCC(C)C(NC(=O)[C@@H](N)[C@@H](C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide?
The InChIKey is MHSYPAGAKFCIPW-FCHICCFQSA-N. The full InChI is InChI=1S/C23H33N2O4P/c1-5-17(3)21(24)22(26)25-23(18(4)6-2)30(27,28-19-13-9-7-10-14-19)29-20-15-11-8-12-16-20/h7-18,21,23H,5-6,24H2,1-4H3,(H,25,26)/t17-,18?,21-,23?/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide has a molecular weight of 432.50 g/mol, XLogP of 5.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(1-diphenoxyphosphoryl-2-methylbutyl)-3-methylpentanamide is sourced from PubChem (CID 10906158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).